3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride

C18H23ClN2O3 — CID 120607855

IUPAC3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CCc2ccccc2N)cc1OC.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-22-16-9-7-13(11-17(16)23-2)12-20-18(21)10-8-14-5-3-4-6-15(14)19;/h3-7,9,11H,8,10,12,19H2,1-2H3,(H,20,21);1H
InChIKeyDCROCFQGSOGJAK-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.96
Rot. Bonds7

About 3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride (PubChem CID 120607855) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride
PubChem CID120607855
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CCc2ccccc2N)cc1OC.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-22-16-9-7-13(11-17(16)23-2)12-20-18(21)10-8-14-5-3-4-6-15(14)19;/h3-7,9,11H,8,10,12,19H2,1-2H3,(H,20,21);1H
InChIKeyDCROCFQGSOGJAK-UHFFFAOYSA-N
XLogP2.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]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-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610551
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 120612277
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766111
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2399525
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride (CID 120607855) is 3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride is COc1ccc(CNC(=O)CCc2ccccc2N)cc1OC.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride?
The InChIKey is DCROCFQGSOGJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-22-16-9-7-13(11-17(16)23-2)12-20-18(21)10-8-14-5-3-4-6-15(14)19;/h3-7,9,11H,8,10,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120607855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).