3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride

C18H23ClN2O3 — CID 119948750

IUPAC3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CC(N)c2ccccc2)cc1OC.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-22-16-9-8-13(10-17(16)23-2)12-20-18(21)11-15(19)14-6-4-3-5-7-14;/h3-10,15H,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyLBQBXTHPEWZLDQ-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.83
Rot. Bonds7

About 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119948750) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
PubChem CID119948750
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCOc1ccc(CNC(=O)CC(N)c2ccccc2)cc1OC.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-22-16-9-8-13(10-17(16)23-2)12-20-18(21)11-15(19)14-6-4-3-5-7-14;/h3-10,15H,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyLBQBXTHPEWZLDQ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,2-diphenylacetate
CID 2520755
3-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951056
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772354
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 103823770
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948782
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride (CID 119948750) is 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride is COc1ccc(CNC(=O)CC(N)c2ccccc2)cc1OC.Cl.
What is the InChIKey of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is LBQBXTHPEWZLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-22-16-9-8-13(10-17(16)23-2)12-20-18(21)11-15(19)14-6-4-3-5-7-14;/h3-10,15H,11-12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119948750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).