3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide

C20H20N2O2 — CID 94760233

IUPAC3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc3ccccc23)cc1N
InChIInChI=1S/C20H20N2O2/c1-24-19-11-9-14(13-17(19)21)10-12-20(23)22-18-8-4-6-15-5-2-3-7-16(15)18/h2-9,11,13H,10,12,21H2,1H3,(H,22,23)
InChIKeyUBSOALJNDKUABN-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.00
Rot. Bonds5

About 3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide

3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide (PubChem CID 94760233) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide
PubChem CID94760233
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc3ccccc23)cc1N
InChIInChI=1S/C20H20N2O2/c1-24-19-11-9-14(13-17(19)21)10-12-20(23)22-18-8-4-6-15-5-2-3-7-16(15)18/h2-9,11,13H,10,12,21H2,1H3,(H,22,23)
InChIKeyUBSOALJNDKUABN-UHFFFAOYSA-N
XLogP4.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide 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-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
N-(2-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119422110
3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
CID 94759047
3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 1406311
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019343
2-(2,5-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 78804407
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
tert-butyl N-[3-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920282
3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide
CID 94760274

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide (CID 94760233) is 3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide is COc1ccc(CCC(=O)Nc2cccc3ccccc23)cc1N.
What is the InChIKey of 3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide?
The InChIKey is UBSOALJNDKUABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-24-19-11-9-14(13-17(19)21)10-12-20(23)22-18-8-4-6-15-5-2-3-7-16(15)18/h2-9,11,13H,10,12,21H2,1H3,(H,22,23).
What are the key properties of 3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide?
3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide has a molecular weight of 320.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 94760233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).