N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide

C20H22N2O4 — CID 4916600

IUPACN-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccccc1NC(=O)C1CCCO1
InChIInChI=1S/C20H22N2O4/c23-19(21-12-14-25-15-7-2-1-3-8-15)16-9-4-5-10-17(16)22-20(24)18-11-6-13-26-18/h1-5,7-10,18H,6,11-14H2,(H,21,23)(H,22,24)
InChIKeyNEAAQTDWNJDKEY-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.61
Rot. Bonds7

About N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide

N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 4916600) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
PubChem CID4916600
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(NCCOc1ccccc1)c1ccccc1NC(=O)C1CCCO1
InChIInChI=1S/C20H22N2O4/c23-19(21-12-14-25-15-7-2-1-3-8-15)16-9-4-5-10-17(16)22-20(24)18-11-6-13-26-18/h1-5,7-10,18H,6,11-14H2,(H,21,23)(H,22,24)
InChIKeyNEAAQTDWNJDKEY-UHFFFAOYSA-N
XLogP2.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide 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-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide (CID 4916600) is N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide is O=C(NCCOc1ccccc1)c1ccccc1NC(=O)C1CCCO1.
What is the InChIKey of N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is NEAAQTDWNJDKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(21-12-14-25-15-7-2-1-3-8-15)16-9-4-5-10-17(16)22-20(24)18-11-6-13-26-18/h1-5,7-10,18H,6,11-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide?
N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenoxyethylcarbamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 4916600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).