N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride

C18H29ClN2O3 — CID 119612216

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)NC2CCCCC2CN)cc1OC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-22-16-9-7-13(11-17(16)23-2)8-10-18(21)20-15-6-4-3-5-14(15)12-19;/h7,9,11,14-15H,3-6,8,10,12,19H2,1-2H3,(H,20,21);1H
InChIKeyWJVUGFSJUPXKOG-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride (PubChem CID 119612216) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
PubChem CID119612216
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)NC2CCCCC2CN)cc1OC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-22-16-9-7-13(11-17(16)23-2)8-10-18(21)20-15-6-4-3-5-14(15)12-19;/h7,9,11,14-15H,3-6,8,10,12,19H2,1-2H3,(H,20,21);1H
InChIKeyWJVUGFSJUPXKOG-UHFFFAOYSA-N
XLogP2.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994
3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide
CID 110279159
N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119609283
3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 43046784
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119610659
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119612214
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride (CID 119612216) is N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride is COc1ccc(CCC(=O)NC2CCCCC2CN)cc1OC.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride?
The InChIKey is WJVUGFSJUPXKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-22-16-9-7-13(11-17(16)23-2)8-10-18(21)20-15-6-4-3-5-14(15)12-19;/h7,9,11,14-15H,3-6,8,10,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119612216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).