N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide

C17H24N2O2 — CID 20668330

IUPACN-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide
SMILESCC(=O)C1(NC(=O)C(N)Cc2ccccc2)CCCCC1
InChIInChI=1S/C17H24N2O2/c1-13(20)17(10-6-3-7-11-17)19-16(21)15(18)12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-12,18H2,1H3,(H,19,21)
InChIKeyQRUKZYXRPSSLLB-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.96
Rot. Bonds5

About N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide

N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide (PubChem CID 20668330) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide
PubChem CID20668330
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide
SMILESCC(=O)C1(NC(=O)C(N)Cc2ccccc2)CCCCC1
InChIInChI=1S/C17H24N2O2/c1-13(20)17(10-6-3-7-11-17)19-16(21)15(18)12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-12,18H2,1H3,(H,19,21)
InChIKeyQRUKZYXRPSSLLB-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374
methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate
CID 10587559
(2R)-2-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
CID 104866236
1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 76894205
4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid
CID 115292457
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid
CID 114929079
2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
CID 11507997
(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
CID 81494200
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide
CID 103797671
(2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide
CID 79004352

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide?
The IUPAC name of N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide (CID 20668330) is N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide.
What is the SMILES notation for N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide?
The canonical SMILES for N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide is CC(=O)C1(NC(=O)C(N)Cc2ccccc2)CCCCC1.
What is the InChIKey of N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide?
The InChIKey is QRUKZYXRPSSLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(20)17(10-6-3-7-11-17)19-16(21)15(18)12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-12,18H2,1H3,(H,19,21).
What are the key properties of N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide?
N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide is sourced from PubChem (CID 20668330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).