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

C17H20N2O — CID 62500171

IUPAC2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)Cc2cccc(N)c2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-7-8-16(13(2)9-12)19(3)17(20)11-14-5-4-6-15(18)10-14/h4-10H,11,18H2,1-3H3
InChIKeyUKUSVGMWCVUQDZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.09
Rot. Bonds3

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

2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide (PubChem CID 62500171) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
PubChem CID62500171
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(N(C)C(=O)Cc2cccc(N)c2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-7-8-16(13(2)9-12)19(3)17(20)11-14-5-4-6-15(18)10-14/h4-10H,11,18H2,1-3H3
InChIKeyUKUSVGMWCVUQDZ-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
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)acetyl]-methylamino]benzoic acid
CID 65349872
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide
CID 62499334
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 62002753
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496
2-(3-aminophenyl)-1-(4-methylphenyl)ethanone
CID 116577086
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
N-(2,4-dimethylphenyl)-4-hydroxy-N-methylbutanamide
CID 79193265
2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
CID 62499017
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 62815849
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide (CID 62500171) is 2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(N(C)C(=O)Cc2cccc(N)c2)c(C)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is UKUSVGMWCVUQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-7-8-16(13(2)9-12)19(3)17(20)11-14-5-4-6-15(18)10-14/h4-10H,11,18H2,1-3H3.
What are the key properties of 2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide?
2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide has a molecular weight of 268.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 62500171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).