3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide

C16H18N2O2 — CID 28713140

IUPAC3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C16H18N2O2/c1-20-15-5-3-2-4-14(15)18-16(19)11-8-12-6-9-13(17)10-7-12/h2-7,9-10H,8,11,17H2,1H3,(H,18,19)
InChIKeyHTQFZPJNEKFAGG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.85
Rot. Bonds5

About 3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide

3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide (PubChem CID 28713140) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
PubChem CID28713140
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C16H18N2O2/c1-20-15-5-3-2-4-14(15)18-16(19)11-8-12-6-9-13(17)10-7-12/h2-7,9-10H,8,11,17H2,1H3,(H,18,19)
InChIKeyHTQFZPJNEKFAGG-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
3-[4-(ethylsulfamoyl)phenyl]-N-(2-methoxyphenyl)propanamide
CID 2227902
3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide
CID 18124058
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 43300904
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
N-(2-methoxyphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 1254823
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide (CID 28713140) is 3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is HTQFZPJNEKFAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-15-5-3-2-4-14(15)18-16(19)11-8-12-6-9-13(17)10-7-12/h2-7,9-10H,8,11,17H2,1H3,(H,18,19).
What are the key properties of 3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide?
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 270.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 28713140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).