2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride

C18H29ClN2O — CID 119317652

IUPAC2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC1CCCCC1Cc1ccccc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-2-8-16(19)18(21)20-17-12-7-6-11-15(17)13-14-9-4-3-5-10-14;/h3-5,9-10,15-17H,2,6-8,11-13,19H2,1H3,(H,20,21);1H
InChIKeyBSJDTBCYBJIHGU-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.45
Rot. Bonds6

About 2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride

2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride (PubChem CID 119317652) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride
PubChem CID119317652
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC1CCCCC1Cc1ccccc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-2-8-16(19)18(21)20-17-12-7-6-11-15(17)13-14-9-4-3-5-10-14;/h3-5,9-10,15-17H,2,6-8,11-13,19H2,1H3,(H,20,21);1H
InChIKeyBSJDTBCYBJIHGU-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide
CID 104983988
N-(2-benzylcyclohexyl)-2,2-difluoroacetamide
CID 167792579
3-amino-N-(2-benzylcyclohexyl)butanamide
CID 119773392
4-amino-N-(2-benzylcyclopentyl)pentanamide;hydrochloride
CID 120563001
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
2-amino-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 103796946
(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide
CID 104984765
(2R)-2-amino-N-(2-propan-2-ylcyclohexyl)pentanamide
CID 103796389
(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
CID 93255478
(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide
CID 107569955
4-(aminomethyl)-N-(2-benzylcyclohexyl)benzamide;hydrochloride
CID 119317648
2-amino-N-benzylpentanamide
CID 11020044

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride (CID 119317652) is 2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride is CCCC(N)C(=O)NC1CCCCC1Cc1ccccc1.Cl.
What is the InChIKey of 2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride?
The InChIKey is BSJDTBCYBJIHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-2-8-16(19)18(21)20-17-12-7-6-11-15(17)13-14-9-4-3-5-10-14;/h3-5,9-10,15-17H,2,6-8,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride?
2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-benzylcyclohexyl)pentanamide;hydrochloride is sourced from PubChem (CID 119317652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).