N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide

C15H15NO4 — CID 92526307

IUPACN-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccccc1/C=C1/CCOC1=O
InChIInChI=1S/C15H15NO4/c1-10(17)16(11(2)18)14-6-4-3-5-12(14)9-13-7-8-20-15(13)19/h3-6,9H,7-8H2,1-2H3/b13-9-
InChIKeyQIFPRWMKGBRRFM-LCYFTJDESA-N
MW273.29 g/mol
LogP1.92
Rot. Bonds2

About N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide

N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide (PubChem CID 92526307) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide
PubChem CID92526307
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC NameN-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)N(C(C)=O)c1ccccc1/C=C1/CCOC1=O
InChIInChI=1S/C15H15NO4/c1-10(17)16(11(2)18)14-6-4-3-5-12(14)9-13-7-8-20-15(13)19/h3-6,9H,7-8H2,1-2H3/b13-9-
InChIKeyQIFPRWMKGBRRFM-LCYFTJDESA-N
XLogP1.92
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide?
The IUPAC name of N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide (CID 92526307) is N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide is CC(=O)N(C(C)=O)c1ccccc1/C=C1/CCOC1=O.
What is the InChIKey of N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide?
The InChIKey is QIFPRWMKGBRRFM-LCYFTJDESA-N. The full InChI is InChI=1S/C15H15NO4/c1-10(17)16(11(2)18)14-6-4-3-5-12(14)9-13-7-8-20-15(13)19/h3-6,9H,7-8H2,1-2H3/b13-9-.
What are the key properties of N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide?
N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide has a molecular weight of 273.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-[(Z)-(2-oxooxolan-3-ylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 92526307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).