N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide

C15H16N2O3 — CID 4561126

IUPACN-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)CNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-11(12-6-3-2-4-7-12)17-14(18)10-16-15(19)13-8-5-9-20-13/h2-9,11H,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyOTJWKZQADIXRMK-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.89
Rot. Bonds5

About N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide

N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide (PubChem CID 4561126) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
PubChem CID4561126
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)CNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-11(12-6-3-2-4-7-12)17-14(18)10-16-15(19)13-8-5-9-20-13/h2-9,11H,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyOTJWKZQADIXRMK-UHFFFAOYSA-N
XLogP1.89
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide (CID 4561126) is N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide is CC(NC(=O)CNC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide?
The InChIKey is OTJWKZQADIXRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11(12-6-3-2-4-7-12)17-14(18)10-16-15(19)13-8-5-9-20-13/h2-9,11H,10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide?
N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 4561126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).