4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide

C15H21NO3 — CID 78856614

IUPAC4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC(C)CO)cc1C
InChIInChI=1S/C15H21NO3/c1-10-4-5-13(8-11(10)2)14(18)6-7-15(19)16-12(3)9-17/h4-5,8,12,17H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyAOLJQPHHIVRKJW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds6

About 4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide

4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide (PubChem CID 78856614) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide
PubChem CID78856614
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC(C)CO)cc1C
InChIInChI=1S/C15H21NO3/c1-10-4-5-13(8-11(10)2)14(18)6-7-15(19)16-12(3)9-17/h4-5,8,12,17H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyAOLJQPHHIVRKJW-UHFFFAOYSA-N
XLogP1.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
N-(1-hydroxypropan-2-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110626895
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
4-(3,4-dimethylphenyl)-N-(4-hydroxy-2-methylpentyl)-4-oxobutanamide
CID 111447209
4-(3,4-dimethylphenyl)-4-oxo-N-(3-propan-2-yloxypropyl)butanamide
CID 108796702
[(2S)-2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938499
5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide
CID 110428172
4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide
CID 55527015
N-butan-2-yl-4-(3,4-difluorophenyl)-4-oxobutanamide
CID 112511074
4-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9040199
4-(3,4-dimethylphenyl)-N-[(3-methylthiophen-2-yl)methyl]-4-oxobutanamide
CID 32989416
3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027775

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide (CID 78856614) is 4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NC(C)CO)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide?
The InChIKey is AOLJQPHHIVRKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-4-5-13(8-11(10)2)14(18)6-7-15(19)16-12(3)9-17/h4-5,8,12,17H,6-7,9H2,1-3H3,(H,16,19).
What are the key properties of 4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide?
4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide is sourced from PubChem (CID 78856614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).