N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide

C14H17NO3 — CID 12836714

IUPACN-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide
SMILESCC(=O)N(c1c(C)cccc1C)C1CCOC1=O
InChIInChI=1S/C14H17NO3/c1-9-5-4-6-10(2)13(9)15(11(3)16)12-7-8-18-14(12)17/h4-6,12H,7-8H2,1-3H3
InChIKeyDYISPEIGDSKTQT-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.97
Rot. Bonds2

About N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide

N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide (PubChem CID 12836714) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide
PubChem CID12836714
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide
SMILESCC(=O)N(c1c(C)cccc1C)C1CCOC1=O
InChIInChI=1S/C14H17NO3/c1-9-5-4-6-10(2)13(9)15(11(3)16)12-7-8-18-14(12)17/h4-6,12H,7-8H2,1-3H3
InChIKeyDYISPEIGDSKTQT-UHFFFAOYSA-N
XLogP1.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide (CID 12836714) is N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide is CC(=O)N(c1c(C)cccc1C)C1CCOC1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide?
The InChIKey is DYISPEIGDSKTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-5-4-6-10(2)13(9)15(11(3)16)12-7-8-18-14(12)17/h4-6,12H,7-8H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide?
N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide has a molecular weight of 247.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide is sourced from PubChem (CID 12836714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).