N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide

C17H25NO2 — CID 94284352

IUPACN-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide
SMILESCCCCN(C)C(=O)CCC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H25NO2/c1-5-6-11-18(4)17(20)10-9-16(19)15-8-7-13(2)14(3)12-15/h7-8,12H,5-6,9-11H2,1-4H3
InChIKeyLJBWLCSBYIJNDL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.52
Rot. Bonds7

About N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide

N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide (PubChem CID 94284352) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide
PubChem CID94284352
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide
SMILESCCCCN(C)C(=O)CCC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H25NO2/c1-5-6-11-18(4)17(20)10-9-16(19)15-8-7-13(2)14(3)12-15/h7-8,12H,5-6,9-11H2,1-4H3
InChIKeyLJBWLCSBYIJNDL-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide?
The IUPAC name of N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide (CID 94284352) is N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide?
The canonical SMILES for N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide is CCCCN(C)C(=O)CCC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide?
The InChIKey is LJBWLCSBYIJNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-6-11-18(4)17(20)10-9-16(19)15-8-7-13(2)14(3)12-15/h7-8,12H,5-6,9-11H2,1-4H3.
What are the key properties of N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide?
N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide has a molecular weight of 275.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 94284352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).