N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide

C14H19NO2 — CID 85397560

IUPACN-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C14H19NO2/c1-9(2)13(15-11(4)16)14(17)12-7-5-10(3)6-8-12/h5-9,13H,1-4H3,(H,15,16)
InChIKeyFMKJXLZPKRPBOU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.34
Rot. Bonds4

About N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide

N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide (PubChem CID 85397560) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide
PubChem CID85397560
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C14H19NO2/c1-9(2)13(15-11(4)16)14(17)12-7-5-10(3)6-8-12/h5-9,13H,1-4H3,(H,15,16)
InChIKeyFMKJXLZPKRPBOU-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
CID 11053976
N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
CID 100938187
2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 18114298
(2R)-3-methyl-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 92922693
(1-amino-1-oxopropan-2-yl) 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 3956797
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616997
4-[[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 146014920
N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
CID 27349912
N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
methyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 164938680
2-acetamido-N-(2,4-dimethylphenyl)-N,3-dimethylbutanamide
CID 47313257
CID 70455298
CID 70455298

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide (CID 85397560) is N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)c1ccc(C)cc1)C(C)C.
What is the InChIKey of N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide?
The InChIKey is FMKJXLZPKRPBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)13(15-11(4)16)14(17)12-7-5-10(3)6-8-12/h5-9,13H,1-4H3,(H,15,16).
What are the key properties of N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide?
N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 85397560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).