3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide

C17H20N2O — CID 28713065

IUPAC3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2ccc(N)cc2)c1C
InChIInChI=1S/C17H20N2O/c1-12-4-3-5-16(13(12)2)19-17(20)11-8-14-6-9-15(18)10-7-14/h3-7,9-10H,8,11,18H2,1-2H3,(H,19,20)
InChIKeyALOTUZOJQLVWRX-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.46
Rot. Bonds4

About 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide

3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 28713065) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
PubChem CID28713065
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2ccc(N)cc2)c1C
InChIInChI=1S/C17H20N2O/c1-12-4-3-5-16(13(12)2)19-17(20)11-8-14-6-9-15(18)10-7-14/h3-7,9-10H,8,11,18H2,1-2H3,(H,19,20)
InChIKeyALOTUZOJQLVWRX-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 19221393
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
3-(4-aminophenyl)-N-(2-methoxyphenyl)propanamide
CID 28713140
N-(2,3-dimethylphenyl)-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
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N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126236704
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
CID 63669494
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
CID 104502050
N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025134
3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide
CID 110330174
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide (CID 28713065) is 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)CCc2ccc(N)cc2)c1C.
What is the InChIKey of 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is ALOTUZOJQLVWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-4-3-5-16(13(12)2)19-17(20)11-8-14-6-9-15(18)10-7-14/h3-7,9-10H,8,11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide?
3-(4-aminophenyl)-N-(2,3-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-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 28713065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).