4-(4-methyl-3-propylphenyl)-4-oxobutanamide

C14H19NO2 — CID 71160980

IUPAC4-(4-methyl-3-propylphenyl)-4-oxobutanamide
SMILESCCCc1cc(C(=O)CCC(N)=O)ccc1C
InChIInChI=1S/C14H19NO2/c1-3-4-11-9-12(6-5-10(11)2)13(16)7-8-14(15)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,17)
InChIKeyRKHLHZYDIHMKDL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.40
Rot. Bonds6

About 4-(4-methyl-3-propylphenyl)-4-oxobutanamide

4-(4-methyl-3-propylphenyl)-4-oxobutanamide (PubChem CID 71160980) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(4-methyl-3-propylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methyl-3-propylphenyl)-4-oxobutanamide
PubChem CID71160980
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-(4-methyl-3-propylphenyl)-4-oxobutanamide
SMILESCCCc1cc(C(=O)CCC(N)=O)ccc1C
InChIInChI=1S/C14H19NO2/c1-3-4-11-9-12(6-5-10(11)2)13(16)7-8-14(15)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,17)
InChIKeyRKHLHZYDIHMKDL-UHFFFAOYSA-N
XLogP2.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-methyl-3-propylphenyl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-propylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-methyl-3-propylphenyl)-4-oxobutanamide (CID 71160980) is 4-(4-methyl-3-propylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-methyl-3-propylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-methyl-3-propylphenyl)-4-oxobutanamide is CCCc1cc(C(=O)CCC(N)=O)ccc1C.
What is the InChIKey of 4-(4-methyl-3-propylphenyl)-4-oxobutanamide?
The InChIKey is RKHLHZYDIHMKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-11-9-12(6-5-10(11)2)13(16)7-8-14(15)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,15,17).
What are the key properties of 4-(4-methyl-3-propylphenyl)-4-oxobutanamide?
4-(4-methyl-3-propylphenyl)-4-oxobutanamide has a molecular weight of 233.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-propylphenyl)-4-oxobutanamide is sourced from PubChem (CID 71160980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).