3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide

C17H20N2O2 — CID 39384748

IUPAC3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C)cc2)cc1N
InChIInChI=1S/C17H20N2O2/c1-12-3-7-14(8-4-12)19-17(20)10-6-13-5-9-16(21-2)15(18)11-13/h3-5,7-9,11H,6,10,18H2,1-2H3,(H,19,20)
InChIKeyXVMCGJBLRWQSAA-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.16
Rot. Bonds5

About 3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide

3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide (PubChem CID 39384748) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
PubChem CID39384748
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C)cc2)cc1N
InChIInChI=1S/C17H20N2O2/c1-12-3-7-14(8-4-12)19-17(20)10-6-13-5-9-16(21-2)15(18)11-13/h3-5,7-9,11H,6,10,18H2,1-2H3,(H,19,20)
InChIKeyXVMCGJBLRWQSAA-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide
CID 82153712
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
N-(3-amino-4-methoxyphenyl)-3-(4-ethoxyphenyl)propanamide
CID 119419441
N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28867446
3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
3-(3-amino-4-methoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 94760233
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 119418954
3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 100550206
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide (CID 39384748) is 3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(C)cc2)cc1N.
What is the InChIKey of 3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide?
The InChIKey is XVMCGJBLRWQSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-3-7-14(8-4-12)19-17(20)10-6-13-5-9-16(21-2)15(18)11-13/h3-5,7-9,11H,6,10,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide?
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.16, 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-(4-methylphenyl)propanamide is sourced from PubChem (CID 39384748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).