4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide

C16H23NO3 — CID 111428870

IUPAC4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NCCC(C)O)c1
InChIInChI=1S/C16H23NO3/c1-11-4-5-12(2)14(10-11)15(19)6-7-16(20)17-9-8-13(3)18/h4-5,10,13,18H,6-9H2,1-3H3,(H,17,20)
InChIKeyBLPDVOCUEYFSFM-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.15
Rot. Bonds7

About 4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide

4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide (PubChem CID 111428870) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide
PubChem CID111428870
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NCCC(C)O)c1
InChIInChI=1S/C16H23NO3/c1-11-4-5-12(2)14(10-11)15(19)6-7-16(20)17-9-8-13(3)18/h4-5,10,13,18H,6-9H2,1-3H3,(H,17,20)
InChIKeyBLPDVOCUEYFSFM-UHFFFAOYSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]pentanoic acid
CID 120689364
N-(2-amino-2-methylpropyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 119628325
(2S)-2-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 119359794
4-(2,5-dimethylphenyl)-4-oxo-N-(3-piperazin-1-ylpropyl)butanamide
CID 119392750
2-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 120687054
N-(3-methylbutyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110295011
[2-(2-methylpropylamino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212537
4-(2,5-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-4-oxobutanamide
CID 24538133
4-(2,5-dimethylphenyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94102322
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458
4-(2,5-dimethylphenyl)-4-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]butanamide
CID 46432968
N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796041

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide (CID 111428870) is 4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide is Cc1ccc(C)c(C(=O)CCC(=O)NCCC(C)O)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide?
The InChIKey is BLPDVOCUEYFSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-4-5-12(2)14(10-11)15(19)6-7-16(20)17-9-8-13(3)18/h4-5,10,13,18H,6-9H2,1-3H3,(H,17,20).
What are the key properties of 4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide?
4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide has a molecular weight of 277.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-(3-hydroxybutyl)-4-oxobutanamide is sourced from PubChem (CID 111428870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).