2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C13H15NO4 — CID 25015427

IUPAC2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCOc1cccc(CC(=O)N[C@H]2CCOC2=O)c1
InChIInChI=1S/C13H15NO4/c1-17-10-4-2-3-9(7-10)8-12(15)14-11-5-6-18-13(11)16/h2-4,7,11H,5-6,8H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyYHSZPLUYKGQKNS-NSHDSACASA-N
MW249.27 g/mol
LogP0.67
Rot. Bonds4

About 2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 25015427) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID25015427
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESCOc1cccc(CC(=O)N[C@H]2CCOC2=O)c1
InChIInChI=1S/C13H15NO4/c1-17-10-4-2-3-9(7-10)8-12(15)14-11-5-6-18-13(11)16/h2-4,7,11H,5-6,8H2,1H3,(H,14,15)/t11-/m0/s1
InChIKeyYHSZPLUYKGQKNS-NSHDSACASA-N
XLogP0.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 25015427) is 2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is COc1cccc(CC(=O)N[C@H]2CCOC2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is YHSZPLUYKGQKNS-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-10-4-2-3-9(7-10)8-12(15)14-11-5-6-18-13(11)16/h2-4,7,11H,5-6,8H2,1H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 249.27 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 25015427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).