8IS

N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide

Created:	2021-10-21
Last modified:	2022-11-16

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Chemical Details
Formal Charge	0
Atom Count	60
Chiral Atom Count	1
Bond Count	62
Aromatic Bond Count	12

2D diagram of 8IS

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Chemical Component Summary
Name	N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide
Synonyms	N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(2~{S})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide
Formula	C₂₄ H₃₂ N₂ O₂
Molecular Weight	380.523
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH](CNCC1CCCCC1)CNC(=O)C(c2ccccc2)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C(c2ccccc2)C(=O)NCC(CNCC3CCCCC3)O
Canonical SMILES	CACTVS	3.385	O[C@@H](CNCC1CCCCC1)CNC(=O)C(c2ccccc2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C(c2ccccc2)C(=O)NC[C@H](CNCC3CCCCC3)O
InChI	InChI	1.06	InChI=1S/C24H32N2O2/c27-22(17-25-16-19-10-4-1-5-11-19)18-26-24(28)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h2-3,6-9,12-15,19,22-23,25,27H,1,4-5,10-11,16-18H2,(H,26,28)/t22-/m0/s1
InChIKey	InChI	1.06	FUOOCCYGXAKPCY-QFIPXVFZSA-N

Related Resource References

Resource Name	Reference
PubChem	165430605

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