3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride

C18H23ClN2O2 — CID 119949726

IUPAC3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
SMILESCOCc1ccccc1CNC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-22-13-16-10-6-5-9-15(16)12-20-18(21)11-17(19)14-7-3-2-4-8-14;/h2-10,17H,11-13,19H2,1H3,(H,20,21);1H
InChIKeyOPMHBDCTEDBFSB-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.96
Rot. Bonds7

About 3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119949726) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
PubChem CID119949726
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
SMILESCOCc1ccccc1CNC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-22-13-16-10-6-5-9-15(16)12-20-18(21)11-17(19)14-7-3-2-4-8-14;/h2-10,17H,11-13,19H2,1H3,(H,20,21);1H
InChIKeyOPMHBDCTEDBFSB-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;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

3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949732
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 60924991
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride
CID 119956519
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953108
3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide
CID 119949663
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride (CID 119949726) is 3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride is COCc1ccccc1CNC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is OPMHBDCTEDBFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-22-13-16-10-6-5-9-15(16)12-20-18(21)11-17(19)14-7-3-2-4-8-14;/h2-10,17H,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119949726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).