N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride

C17H27ClN2O — CID 119475413

IUPACN-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride
SMILESCc1ccccc1C(C)CC(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-5-3-4-6-16(12)13(2)11-17(20)19-15-9-7-14(18)8-10-15;/h3-6,13-15H,7-11,18H2,1-2H3,(H,19,20);1H
InChIKeyUXJMXBVWYLAUQL-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.30
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride

N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride (PubChem CID 119475413) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride
PubChem CID119475413
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride
SMILESCc1ccccc1C(C)CC(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-5-3-4-6-16(12)13(2)11-17(20)19-15-9-7-14(18)8-10-15;/h3-6,13-15H,7-11,18H2,1-2H3,(H,19,20);1H
InChIKeyUXJMXBVWYLAUQL-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343
N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide
CID 119475429
N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119474759
N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide
CID 119474760
2-amino-N-cyclopropyl-2-(2-methylphenyl)acetamide
CID 83532364
3-(2-fluorophenyl)-N-piperidin-4-ylbutanamide
CID 119390456
3-(2-methylphenyl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119460874
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119389907
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-cycloheptyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]acetamide
CID 81363494
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride
CID 120944761

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride (CID 119475413) is N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride is Cc1ccccc1C(C)CC(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride?
The InChIKey is UXJMXBVWYLAUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12-5-3-4-6-16(12)13(2)11-17(20)19-15-9-7-14(18)8-10-15;/h3-6,13-15H,7-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-(2-methylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119475413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).