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

C17H20N2O — CID 106590698

IUPAC2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)c2cccc(N)c2)c1C
InChIInChI=1S/C17H20N2O/c1-11-6-4-9-16(12(11)2)19-17(20)13(3)14-7-5-8-15(18)10-14/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKeyJROURALHLNQCOD-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.63
Rot. Bonds3

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

2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 106590698) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
PubChem CID106590698
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)C(C)c2cccc(N)c2)c1C
InChIInChI=1S/C17H20N2O/c1-11-6-4-9-16(12(11)2)19-17(20)13(3)14-7-5-8-15(18)10-14/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKeyJROURALHLNQCOD-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.63
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-[2-(3-aminophenyl)propanoylamino]benzamide
CID 106590933
2-(3-aminophenyl)-N-(2-chloro-6-methylphenyl)propanamide
CID 106591588
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
2-amino-N-(2,3-dimethylphenyl)-2-phenylacetamide
CID 24694954
2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide
CID 106591003
2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 106590705
N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
CID 3393245
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
CID 106590704
2-(3-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 106590814
1-[3-(1-aminoethyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 61342211
2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
CID 106590702

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide (CID 106590698) is 2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)C(C)c2cccc(N)c2)c1C.
What is the InChIKey of 2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is JROURALHLNQCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-6-4-9-16(12(11)2)19-17(20)13(3)14-7-5-8-15(18)10-14/h4-10,13H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide?
2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 268.36 g/mol, XLogP of 3.63, 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-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 106590698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).