[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate

C15H14N2O5 — CID 18102829

IUPAC[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)c2ccoc2)c1
InChIInChI=1S/C15H14N2O5/c1-16-14(19)10-3-2-4-12(7-10)17-13(18)9-22-15(20)11-5-6-21-8-11/h2-8H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyKTFVDNVWPXIXRQ-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.43
Rot. Bonds5

About [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate (PubChem CID 18102829) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate.

Molecular Properties

Compound Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate
PubChem CID18102829
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate
SMILESCNC(=O)c1cccc(NC(=O)COC(=O)c2ccoc2)c1
InChIInChI=1S/C15H14N2O5/c1-16-14(19)10-3-2-4-12(7-10)17-13(18)9-22-15(20)11-5-6-21-8-11/h2-8H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyKTFVDNVWPXIXRQ-UHFFFAOYSA-N
XLogP1.43
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
CID 17396359
ethyl 3-(furan-3-carbonylamino)benzoate
CID 34142354
[2-(2,6-dimethylanilino)-2-oxoethyl] furan-3-carboxylate
CID 26984386
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 35051099
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 9199802
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-3-methylbenzoate
CID 18141034
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8581421
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] furan-3-carboxylate
CID 46649127
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007695
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007692
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate?
The IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate (CID 18102829) is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate.
What is the SMILES notation for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate?
The canonical SMILES for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate is CNC(=O)c1cccc(NC(=O)COC(=O)c2ccoc2)c1.
What is the InChIKey of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate?
The InChIKey is KTFVDNVWPXIXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-16-14(19)10-3-2-4-12(7-10)17-13(18)9-22-15(20)11-5-6-21-8-11/h2-8H,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate?
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate has a molecular weight of 302.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] furan-3-carboxylate is sourced from PubChem (CID 18102829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).