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

C16H20ClNO4 — CID 12836731

IUPACN-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide
SMILESCCOCC(=O)N(c1c(C)ccc(Cl)c1C)C1CCOC1=O
InChIInChI=1S/C16H20ClNO4/c1-4-21-9-14(19)18(13-7-8-22-16(13)20)15-10(2)5-6-12(17)11(15)3/h5-6,13H,4,7-9H2,1-3H3
InChIKeyPVNBMAJAXLQGAI-UHFFFAOYSA-N
MW325.79 g/mol
LogP2.64
Rot. Bonds5

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

N-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide (PubChem CID 12836731) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is N-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide
PubChem CID12836731
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC NameN-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide
SMILESCCOCC(=O)N(c1c(C)ccc(Cl)c1C)C1CCOC1=O
InChIInChI=1S/C16H20ClNO4/c1-4-21-9-14(19)18(13-7-8-22-16(13)20)15-10(2)5-6-12(17)11(15)3/h5-6,13H,4,7-9H2,1-3H3
InChIKeyPVNBMAJAXLQGAI-UHFFFAOYSA-N
XLogP2.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide?
The IUPAC name of N-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide (CID 12836731) is N-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide is CCOCC(=O)N(c1c(C)ccc(Cl)c1C)C1CCOC1=O.
What is the InChIKey of N-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide?
The InChIKey is PVNBMAJAXLQGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4/c1-4-21-9-14(19)18(13-7-8-22-16(13)20)15-10(2)5-6-12(17)11(15)3/h5-6,13H,4,7-9H2,1-3H3.
What are the key properties of N-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide?
N-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide has a molecular weight of 325.79 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-dimethylphenyl)-2-ethoxy-N-(2-oxooxolan-3-yl)acetamide is sourced from PubChem (CID 12836731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).