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

C14H14N2O4 — CID 771994

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C14H14N2O4/c1-19-11-6-4-10(5-7-11)16-13(17)9-15-14(18)12-3-2-8-20-12/h2-8H,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyPDMVBDHGGMIJMZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.66
Rot. Bonds5

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

N-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 771994) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID771994
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2ccco2)cc1
InChIInChI=1S/C14H14N2O4/c1-19-11-6-4-10(5-7-11)16-13(17)9-15-14(18)12-3-2-8-20-12/h2-8H,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyPDMVBDHGGMIJMZ-UHFFFAOYSA-N
XLogP1.66
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide (CID 771994) is N-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide is COc1ccc(NC(=O)CNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is PDMVBDHGGMIJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-19-11-6-4-10(5-7-11)16-13(17)9-15-14(18)12-3-2-8-20-12/h2-8H,9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 771994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).