N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide

C15H24N2O3 — CID 43113547

IUPACN-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccc(OC)cc1OC
InChIInChI=1S/C15H24N2O3/c1-6-10(2)16-15(18)11(3)17-13-8-7-12(19-4)9-14(13)20-5/h7-11,17H,6H2,1-5H3,(H,16,18)
InChIKeyDIHFWJMSVDUXFM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.42
Rot. Bonds7

About N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide

N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide (PubChem CID 43113547) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
PubChem CID43113547
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
SMILESCCC(C)NC(=O)C(C)Nc1ccc(OC)cc1OC
InChIInChI=1S/C15H24N2O3/c1-6-10(2)16-15(18)11(3)17-13-8-7-12(19-4)9-14(13)20-5/h7-11,17H,6H2,1-5H3,(H,16,18)
InChIKeyDIHFWJMSVDUXFM-UHFFFAOYSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(2,4-dimethoxyanilino)-N-propylpropanamide
CID 43087415
4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109044149
(2S)-N-cyclohexyl-2-(2,4-dimethoxyanilino)propanamide
CID 92717913
(2S)-N-(tert-butylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 35969817
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide
CID 104848632
N-(cyclopropylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 51281614
N-butan-2-yl-2,4,6-trimethoxybenzamide
CID 110764612
N-(2,5-dichlorophenyl)-2-(2,4-dimethoxyanilino)propanamide
CID 46799719
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109249144
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide?
The IUPAC name of N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide (CID 43113547) is N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide?
The canonical SMILES for N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide is CCC(C)NC(=O)C(C)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide?
The InChIKey is DIHFWJMSVDUXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-10(2)16-15(18)11(3)17-13-8-7-12(19-4)9-14(13)20-5/h7-11,17H,6H2,1-5H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide?
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide has a molecular weight of 280.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide is sourced from PubChem (CID 43113547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).