N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide

C24H30N2O2 — CID 7064689

IUPACN-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H30N2O2/c27-23(21-14-8-3-9-15-21)26-22(18-20-12-6-2-7-13-20)24(28)25-17-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-22H,3,8-9,14-18H2,(H,25,28)(H,26,27)/t22-/m0/s1
InChIKeyDGCVIXNPVXPQRJ-QFIPXVFZSA-N
MW378.52 g/mol
LogP3.65
Rot. Bonds8

About N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide

N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide (PubChem CID 7064689) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide
PubChem CID7064689
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H30N2O2/c27-23(21-14-8-3-9-15-21)26-22(18-20-12-6-2-7-13-20)24(28)25-17-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-22H,3,8-9,14-18H2,(H,25,28)(H,26,27)/t22-/m0/s1
InChIKeyDGCVIXNPVXPQRJ-QFIPXVFZSA-N
XLogP3.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide
CID 22422546
N-[4-methyl-5-oxo-5-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide
CID 67327174
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
N-[(2R)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]cyclohexanecarboxamide
CID 41170779
N-(1-bromo-3-phenylpropan-2-yl)cycloheptanecarboxamide
CID 114311229
N-[(2S)-4-chloro-3,5-dioxo-1-phenylpentan-2-yl]cyclohexanecarboxamide
CID 54551967
sodium;(2S,3S)-1-benzyl-3-[[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]carbamoyl]aziridine-2-carboxylic acid;hydride
CID 173251558
5-[[(2S)-1-(heptylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexane-1,3-dicarboxylic acid
CID 143048112
3-N-[1-[2-(2-hydroxyethoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]-1-N,5-N-bis[(2S)-1-[2-(2-hydroxyethoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]cyclohexane-1,3,5-tricarboxamide
CID 142830946
sodium;(2S,3S)-3-[[(2S)-1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid;hydride
CID 173251612

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide (CID 7064689) is N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide is O=C(N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide?
The InChIKey is DGCVIXNPVXPQRJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-23(21-14-8-3-9-15-21)26-22(18-20-12-6-2-7-13-20)24(28)25-17-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-22H,3,8-9,14-18H2,(H,25,28)(H,26,27)/t22-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide?
N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 7064689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).