2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide

C14H17NO3 — CID 2942110

IUPAC2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CC(=O)OC1(C)C
InChIInChI=1S/C14H17NO3/c1-9-6-4-5-7-11(9)15-13(17)10-8-12(16)18-14(10,2)3/h4-7,10H,8H2,1-3H3,(H,15,17)
InChIKeyATMSPCFBNONWNE-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.28
Rot. Bonds2

About 2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide

2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide (PubChem CID 2942110) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide
PubChem CID2942110
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CC(=O)OC1(C)C
InChIInChI=1S/C14H17NO3/c1-9-6-4-5-7-11(9)15-13(17)10-8-12(16)18-14(10,2)3/h4-7,10H,8H2,1-3H3,(H,15,17)
InChIKeyATMSPCFBNONWNE-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide
CID 929902
(4R,5R)-7,7-dimethyl-N-(2-methylphenyl)-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 752068
(1S,6S)-3,4-dimethyl-6-[(2-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 842157
(3R)-2,2-dimethyl-5-oxo-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 97425366
(3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide
CID 97423927
(4S)-2,2-dimethyl-N-(2-methylphenyl)oxane-4-carboxamide
CID 930580
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
4-hydroxy-2,2-dimethyl-N-(2-methylphenyl)-6-oxo-1,3-dioxine-5-carboxamide
CID 10912806
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
(1S,2R,3R,4R)-3-[(2-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 11896564
(4S,5S)-N-(2-chlorophenyl)-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 719145
1-methyl-N-(2-methylphenyl)-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110703022

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide (CID 2942110) is 2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide is Cc1ccccc1NC(=O)C1CC(=O)OC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide?
The InChIKey is ATMSPCFBNONWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-6-4-5-7-11(9)15-13(17)10-8-12(16)18-14(10,2)3/h4-7,10H,8H2,1-3H3,(H,15,17).
What are the key properties of 2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide?
2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylphenyl)-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 2942110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).