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

C16H21NO4 — CID 12796019

IUPACN-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide
SMILESCCOCC(=O)N(c1c(C)cccc1C)C1CCOC1=O
InChIInChI=1S/C16H21NO4/c1-4-20-10-14(18)17(13-8-9-21-16(13)19)15-11(2)6-5-7-12(15)3/h5-7,13H,4,8-10H2,1-3H3
InChIKeyAAXAUILDSFGMQO-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.99
Rot. Bonds5

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

N-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide (PubChem CID 12796019) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide
PubChem CID12796019
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide
SMILESCCOCC(=O)N(c1c(C)cccc1C)C1CCOC1=O
InChIInChI=1S/C16H21NO4/c1-4-20-10-14(18)17(13-8-9-21-16(13)19)15-11(2)6-5-7-12(15)3/h5-7,13H,4,8-10H2,1-3H3
InChIKeyAAXAUILDSFGMQO-UHFFFAOYSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide (CID 12796019) is N-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide is CCOCC(=O)N(c1c(C)cccc1C)C1CCOC1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide?
The InChIKey is AAXAUILDSFGMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-4-20-10-14(18)17(13-8-9-21-16(13)19)15-11(2)6-5-7-12(15)3/h5-7,13H,4,8-10H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide?
N-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide is sourced from PubChem (CID 12796019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).