N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide

C15H16N2O4 — CID 2982164

IUPACN-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C15H16N2O4/c1-2-20-12-7-5-11(6-8-12)17-14(18)10-16-15(19)13-4-3-9-21-13/h3-9H,2,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyAAJIXYYFUWHLKI-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 2982164) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID2982164
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C15H16N2O4/c1-2-20-12-7-5-11(6-8-12)17-14(18)10-16-15(19)13-4-3-9-21-13/h3-9H,2,10H2,1H3,(H,16,19)(H,17,18)
InChIKeyAAJIXYYFUWHLKI-UHFFFAOYSA-N
XLogP2.05
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide (CID 2982164) is N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide is CCOc1ccc(NC(=O)CNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is AAJIXYYFUWHLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-20-12-7-5-11(6-8-12)17-14(18)10-16-15(19)13-4-3-9-21-13/h3-9H,2,10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 2982164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).