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

C18H22N2O — CID 104502050

IUPAC3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
SMILESCc1cccc(NC(=O)CC(C)c2ccc(N)cc2)c1C
InChIInChI=1S/C18H22N2O/c1-12-5-4-6-17(14(12)3)20-18(21)11-13(2)15-7-9-16(19)10-8-15/h4-10,13H,11,19H2,1-3H3,(H,20,21)
InChIKeyCCMQWJGDMBVDAZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.02
Rot. Bonds4

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

3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide (PubChem CID 104502050) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
PubChem CID104502050
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
SMILESCc1cccc(NC(=O)CC(C)c2ccc(N)cc2)c1C
InChIInChI=1S/C18H22N2O/c1-12-5-4-6-17(14(12)3)20-18(21)11-13(2)15-7-9-16(19)10-8-15/h4-10,13H,11,19H2,1-3H3,(H,20,21)
InChIKeyCCMQWJGDMBVDAZ-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.02
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

(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
3-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)butanamide
CID 104502253
3-(4-aminophenyl)-N-(2-cyanophenyl)butanamide
CID 104502015
3-(4-aminophenyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 104502076
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
3-(4-aminophenyl)-N-(2-hydroxy-5-methylphenyl)butanamide
CID 104502828
N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 19221393
3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
CID 102805605
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-(4-aminophenyl)-N-(2,5-dibromophenyl)butanamide
CID 104502256
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide
CID 104502905

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide (CID 104502050) is 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide is Cc1cccc(NC(=O)CC(C)c2ccc(N)cc2)c1C.
What is the InChIKey of 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide?
The InChIKey is CCMQWJGDMBVDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-5-4-6-17(14(12)3)20-18(21)11-13(2)15-7-9-16(19)10-8-15/h4-10,13H,11,19H2,1-3H3,(H,20,21).
What are the key properties of 3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide?
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide has a molecular weight of 282.39 g/mol, XLogP of 4.02, 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)butanamide is sourced from PubChem (CID 104502050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).