[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate

C15H14N2O5 — CID 8909209

IUPAC[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
SMILESCNC(=O)COC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C15H14N2O5/c1-16-13(18)9-22-15(20)10-4-6-11(7-5-10)17-14(19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyHNDANDPBLRUASQ-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.43
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate

[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 8909209) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
PubChem CID8909209
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
SMILESCNC(=O)COC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C15H14N2O5/c1-16-13(18)9-22-15(20)10-4-6-11(7-5-10)17-14(19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,16,18)(H,17,19)
InChIKeyHNDANDPBLRUASQ-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-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909190
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 7734234
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-(furan-2-carbonylamino)benzoate
CID 27764342
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909155
2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate
CID 17296731
hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342
heptyl 4-(furan-2-carbonylamino)benzoate
CID 565794
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 27764247
[2-(4-butoxycarbonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631611
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate (CID 8909209) is [2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate is CNC(=O)COC(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
The InChIKey is HNDANDPBLRUASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-16-13(18)9-22-15(20)10-4-6-11(7-5-10)17-14(19)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?
[2-(methylamino)-2-oxoethyl] 4-(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] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 8909209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).