3-amino-N-(2-benzylcyclohexyl)butanamide

C17H26N2O — CID 119773392

IUPAC3-amino-N-(2-benzylcyclohexyl)butanamide
SMILESCC(N)CC(=O)NC1CCCCC1Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-13(18)11-17(20)19-16-10-6-5-9-15(16)12-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12,18H2,1H3,(H,19,20)
InChIKeyXRPRGSLAXNYSMU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds5

About 3-amino-N-(2-benzylcyclohexyl)butanamide

3-amino-N-(2-benzylcyclohexyl)butanamide (PubChem CID 119773392) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-N-(2-benzylcyclohexyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-benzylcyclohexyl)butanamide
PubChem CID119773392
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-N-(2-benzylcyclohexyl)butanamide
SMILESCC(N)CC(=O)NC1CCCCC1Cc1ccccc1
InChIInChI=1S/C17H26N2O/c1-13(18)11-17(20)19-16-10-6-5-9-15(16)12-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12,18H2,1H3,(H,19,20)
InChIKeyXRPRGSLAXNYSMU-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-benzylcyclopentyl)pentanamide;hydrochloride
CID 120563001
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride
CID 119317652
N-(2-benzylcyclohexyl)-2,2-difluoroacetamide
CID 167792579
3-amino-N-[2-(aminomethyl)cyclohexyl]-3-phenylpropanamide
CID 122080744
N'-[(1S,2S)-2-benzylcyclohexyl]acetohydrazide
CID 125464130
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
CID 119609450
N-[(1S,2R)-2-benzylcyclohexyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95298751
4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride
CID 119317648
3-[(2-benzylcyclopentyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122002977
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
N-[(1S,2R)-2-benzylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 95310118

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-benzylcyclohexyl)butanamide?
The IUPAC name of 3-amino-N-(2-benzylcyclohexyl)butanamide (CID 119773392) is 3-amino-N-(2-benzylcyclohexyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-benzylcyclohexyl)butanamide?
The canonical SMILES for 3-amino-N-(2-benzylcyclohexyl)butanamide is CC(N)CC(=O)NC1CCCCC1Cc1ccccc1.
What is the InChIKey of 3-amino-N-(2-benzylcyclohexyl)butanamide?
The InChIKey is XRPRGSLAXNYSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(18)11-17(20)19-16-10-6-5-9-15(16)12-14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(2-benzylcyclohexyl)butanamide?
3-amino-N-(2-benzylcyclohexyl)butanamide has a molecular weight of 274.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-benzylcyclohexyl)butanamide is sourced from PubChem (CID 119773392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).