2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide

C14H17NO3 — CID 2939947

IUPAC2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CC2CC(C)OC2=O)c1
InChIInChI=1S/C14H17NO3/c1-9-4-3-5-12(6-9)15-13(16)8-11-7-10(2)18-14(11)17/h3-6,10-11H,7-8H2,1-2H3,(H,15,16)
InChIKeyFCIGZCIFYFVMOK-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.28
Rot. Bonds3

About 2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide

2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide (PubChem CID 2939947) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide
PubChem CID2939947
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CC2CC(C)OC2=O)c1
InChIInChI=1S/C14H17NO3/c1-9-4-3-5-12(6-9)15-13(16)8-11-7-10(2)18-14(11)17/h3-6,10-11H,7-8H2,1-2H3,(H,15,16)
InChIKeyFCIGZCIFYFVMOK-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide (CID 2939947) is 2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CC2CC(C)OC2=O)c1.
What is the InChIKey of 2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is FCIGZCIFYFVMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-4-3-5-12(6-9)15-13(16)8-11-7-10(2)18-14(11)17/h3-6,10-11H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide?
2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 247.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxooxolan-3-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2939947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).