N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide

C15H19NO3 — CID 91650588

IUPACN-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide
SMILESCC(=O)c1c(C)cccc1NC(=O)C1OCCC1C
InChIInChI=1S/C15H19NO3/c1-9-5-4-6-12(13(9)11(3)17)16-15(18)14-10(2)7-8-19-14/h4-6,10,14H,7-8H2,1-3H3,(H,16,18)
InChIKeyWPUYQVOSHAVJDJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.56
Rot. Bonds3

About N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide

N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide (PubChem CID 91650588) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide
PubChem CID91650588
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide
SMILESCC(=O)c1c(C)cccc1NC(=O)C1OCCC1C
InChIInChI=1S/C15H19NO3/c1-9-5-4-6-12(13(9)11(3)17)16-15(18)14-10(2)7-8-19-14/h4-6,10,14H,7-8H2,1-3H3,(H,16,18)
InChIKeyWPUYQVOSHAVJDJ-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458398
(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
CID 124591887
N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
CID 81468862
N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 103819174
N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
CID 81426078
N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
CID 75503564
N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide
CID 103842465
3-methyl-N-(3-sulfamoylphenyl)oxolane-2-carboxamide
CID 81424664
(2S,3R)-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 97348864
(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 124851759
3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 119045726
N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide
CID 81434051

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide (CID 91650588) is N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide is CC(=O)c1c(C)cccc1NC(=O)C1OCCC1C.
What is the InChIKey of N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide?
The InChIKey is WPUYQVOSHAVJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-5-4-6-12(13(9)11(3)17)16-15(18)14-10(2)7-8-19-14/h4-6,10,14H,7-8H2,1-3H3,(H,16,18).
What are the key properties of N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide?
N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 91650588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).