2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride

C21H29ClN2O3 — CID 120588375

IUPAC2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
SMILESCCCCOc1ccc(CNC(=O)C(C)(N)c2ccccc2)cc1OC.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-4-5-13-26-18-12-11-16(14-19(18)25-3)15-23-20(24)21(2,22)17-9-7-6-8-10-17;/h6-12,14H,4-5,13,15,22H2,1-3H3,(H,23,24);1H
InChIKeyJICNWENPGAWGEM-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.79
Rot. Bonds9

About 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120588375) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
PubChem CID120588375
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Name2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
SMILESCCCCOc1ccc(CNC(=O)C(C)(N)c2ccccc2)cc1OC.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-4-5-13-26-18-12-11-16(14-19(18)25-3)15-23-20(24)21(2,22)17-9-7-6-8-10-17;/h6-12,14H,4-5,13,15,22H2,1-3H3,(H,23,24);1H
InChIKeyJICNWENPGAWGEM-UHFFFAOYSA-N
XLogP3.79
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-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

2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120588376
2-amino-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120588377
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120592099
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide
CID 120592359
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450
2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride
CID 119858674
(2S)-2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-4-methylpentanamide
CID 119714660
N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]hexanamide
CID 19904835
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride (CID 120588375) is 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride is CCCCOc1ccc(CNC(=O)C(C)(N)c2ccccc2)cc1OC.Cl.
What is the InChIKey of 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is JICNWENPGAWGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.ClH/c1-4-5-13-26-18-12-11-16(14-19(18)25-3)15-23-20(24)21(2,22)17-9-7-6-8-10-17;/h6-12,14H,4-5,13,15,22H2,1-3H3,(H,23,24);1H.
What are the key properties of 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120588375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).