3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide

C17H20N2O — CID 28713886

IUPAC3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C17H20N2O/c1-12-9-13(2)11-15(10-12)19-17(20)8-7-14-5-3-4-6-16(14)18/h3-6,9-11H,7-8,18H2,1-2H3,(H,19,20)
InChIKeySXGFMMXVYOAUFX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.46
Rot. Bonds4

About 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide

3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide (PubChem CID 28713886) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
PubChem CID28713886
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C17H20N2O/c1-12-9-13(2)11-15(10-12)19-17(20)8-7-14-5-3-4-6-16(14)18/h3-6,9-11H,7-8,18H2,1-2H3,(H,19,20)
InChIKeySXGFMMXVYOAUFX-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.46
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

3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
3-(2-aminophenyl)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240805
3-(2-aminophenyl)-N-(3-bromo-5-methoxyphenyl)propanamide
CID 107273353
3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 43309208
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 107272723
3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide
CID 107365916
3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199
3-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272917
3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 107273103

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide (CID 28713886) is 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)CCc2ccccc2N)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is SXGFMMXVYOAUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-9-13(2)11-15(10-12)19-17(20)8-7-14-5-3-4-6-16(14)18/h3-6,9-11H,7-8,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide?
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 268.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 28713886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).