N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride

C17H27ClN2O — CID 119475057

IUPACN-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NC2CCC(N)CC2)c(C)c1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-3-4-14(13(2)11-12)5-10-17(20)19-16-8-6-15(18)7-9-16;/h3-4,11,15-16H,5-10,18H2,1-2H3,(H,19,20);1H
InChIKeyDVGFYGAZEKNJRX-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.04
Rot. Bonds4

About N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride

N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride (PubChem CID 119475057) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
PubChem CID119475057
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
SMILESCc1ccc(CCC(=O)NC2CCC(N)CC2)c(C)c1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-3-4-14(13(2)11-12)5-10-17(20)19-16-8-6-15(18)7-9-16;/h3-4,11,15-16H,5-10,18H2,1-2H3,(H,19,20);1H
InChIKeyDVGFYGAZEKNJRX-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119455766
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,4-dimethylphenyl)propanamide
CID 134047888
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119609666
3-(2,4-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
CID 95631970
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
N-(4-aminocyclohexyl)-2-(2,4-dimethylphenoxy)acetamide
CID 119477487
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693
2-[cyclopropylmethyl-[3-[3-(2,4-dimethylphenyl)propanoylamino]cyclobutyl]amino]acetic acid
CID 129005509
4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 51324491
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride (CID 119475057) is N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride is Cc1ccc(CCC(=O)NC2CCC(N)CC2)c(C)c1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride?
The InChIKey is DVGFYGAZEKNJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12-3-4-14(13(2)11-12)5-10-17(20)19-16-8-6-15(18)7-9-16;/h3-4,11,15-16H,5-10,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-(2,4-dimethylphenyl)propanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.04, 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-(2,4-dimethylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119475057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).