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

C16H18N2O2 — CID 106590702

IUPAC2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)c2cccc(N)c2)cc1
InChIInChI=1S/C16H18N2O2/c1-11(12-4-3-5-13(17)10-12)16(19)18-14-6-8-15(20-2)9-7-14/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyNKMSKBXBGVVWKZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.02
Rot. Bonds4

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

2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide (PubChem CID 106590702) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
PubChem CID106590702
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)c2cccc(N)c2)cc1
InChIInChI=1S/C16H18N2O2/c1-11(12-4-3-5-13(17)10-12)16(19)18-14-6-8-15(20-2)9-7-14/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyNKMSKBXBGVVWKZ-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.02
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

2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 106590705
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
CID 106590704
4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 40736580
2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide
CID 106590860
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55363194
2-(3-aminophenyl)sulfanyl-N-(4-methoxyphenyl)butanamide
CID 18894350
methyl 2-[2-(3-aminophenyl)propanoylamino]-3-methylbutanoate
CID 106590886
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 11087415

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide (CID 106590702) is 2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)c2cccc(N)c2)cc1.
What is the InChIKey of 2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is NKMSKBXBGVVWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(12-4-3-5-13(17)10-12)16(19)18-14-6-8-15(20-2)9-7-14/h3-11H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide?
2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 270.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 106590702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).