[2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

C15H14N2O5 — CID 2365479

IUPAC[2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
SMILESCNC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C15H14N2O5/c1-16-13(18)9-22-15(20)10-5-2-3-6-11(10)17-14(19)12-7-4-8-21-12/h2-8H,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyJHCUVIITMWAMET-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.43
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate

[2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate (PubChem CID 2365479) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
PubChem CID2365479
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
SMILESCNC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C15H14N2O5/c1-16-13(18)9-22-15(20)10-5-2-3-6-11(10)17-14(19)12-7-4-8-21-12/h2-8H,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyJHCUVIITMWAMET-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

Furalaxyl
CID 42504
2-[(Furan-2-carbonyl)-amino]-benzoic acid
CID 722854
N-(4-methylphenyl)furan-2-carboxamide
CID 785196
(E)-N-(2-methyl-4-(o-tolyldiazenyl)phenyl)furan-2-carboxamide
CID 2827423
2-(N-methylfuran-2-amido)benzoic acid
CID 792367
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 152426927
N-{3-[(phenylcarbonyl)amino]phenyl}furan-2-carboxamide
CID 825801
1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 6463949
Methyl 2-(furan-2-carbonylamino)benzoate
CID 310138
4-(((5-Methyl-2-furanyl)carbonyl)amino)benzeneacetic acid
CID 800730
2-amino-N-(furan-2-ylmethyl)benzamide
CID 841269
N-(2-methylphenyl)-2-furamide
CID 2246088

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate (CID 2365479) is [2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate is CNC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
The InChIKey is JHCUVIITMWAMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-16-13(18)9-22-15(20)10-5-2-3-6-11(10)17-14(19)12-7-4-8-21-12/h2-8H,9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate?
[2-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate 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-(methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 2365479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).