2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide

C15H24N2O3 — CID 60688672

IUPAC2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNc1ccc(OC)cc1OC
InChIInChI=1S/C15H24N2O3/c1-5-6-11(2)17-15(18)10-16-13-8-7-12(19-3)9-14(13)20-4/h7-9,11,16H,5-6,10H2,1-4H3,(H,17,18)
InChIKeyOBJBAOQMBKTUDE-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.42
Rot. Bonds8

About 2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide

2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide (PubChem CID 60688672) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
PubChem CID60688672
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNc1ccc(OC)cc1OC
InChIInChI=1S/C15H24N2O3/c1-5-6-11(2)17-15(18)10-16-13-8-7-12(19-3)9-14(13)20-4/h7-9,11,16H,5-6,10H2,1-4H3,(H,17,18)
InChIKeyOBJBAOQMBKTUDE-UHFFFAOYSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylacetamide
CID 104843738
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
CID 28570489
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 26438685
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate
CID 42847243
2,4-dimethoxy-N-(2-methylidenebutyl)aniline
CID 66044244
N-(2,4-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663376
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547
2-(2-fluoro-4-methylanilino)-N-pentan-2-ylacetamide
CID 60688483
2-(2-methoxyanilino)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96534561

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide (CID 60688672) is 2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNc1ccc(OC)cc1OC.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide?
The InChIKey is OBJBAOQMBKTUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-6-11(2)17-15(18)10-16-13-8-7-12(19-3)9-14(13)20-4/h7-9,11,16H,5-6,10H2,1-4H3,(H,17,18).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide?
2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide has a molecular weight of 280.37 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide is sourced from PubChem (CID 60688672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).