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

C16H18N2O — CID 106590701

IUPAC2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)c2cccc(N)c2)cc1
InChIInChI=1S/C16H18N2O/c1-11-6-8-15(9-7-11)18-16(19)12(2)13-4-3-5-14(17)10-13/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKeyBCRWTQRQNGKOPB-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.32
Rot. Bonds3

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

2-(3-aminophenyl)-N-(4-methylphenyl)propanamide (PubChem CID 106590701) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
PubChem CID106590701
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)c2cccc(N)c2)cc1
InChIInChI=1S/C16H18N2O/c1-11-6-8-15(9-7-11)18-16(19)12(2)13-4-3-5-14(17)10-13/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKeyBCRWTQRQNGKOPB-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 106590705
2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
CID 106590702
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
CID 106590704
2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 106590698
2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 106590814
2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide
CID 106590860
2-(3-aminophenyl)-N-(2-chloro-6-methylphenyl)propanamide
CID 106591588
2-[2-(3-aminophenyl)propanoylamino]benzamide
CID 106590933
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
N-[4-(2-hydroxyethyl)phenyl]-2-(3-methylphenyl)propanamide
CID 111442382
2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide
CID 106591393
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(4-methylphenyl)propanamide (CID 106590701) is 2-(3-aminophenyl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)c2cccc(N)c2)cc1.
What is the InChIKey of 2-(3-aminophenyl)-N-(4-methylphenyl)propanamide?
The InChIKey is BCRWTQRQNGKOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-6-8-15(9-7-11)18-16(19)12(2)13-4-3-5-14(17)10-13/h3-10,12H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)-N-(4-methylphenyl)propanamide?
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide has a molecular weight of 254.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 106590701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).