[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

C18H16N2O7 — CID 2556117

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C\c1ccc2c(c1)OCO2)NC(=O)NCc1ccco1
InChIInChI=1S/C18H16N2O7/c21-16(20-18(23)19-9-13-2-1-7-24-13)10-25-17(22)6-4-12-3-5-14-15(8-12)27-11-26-14/h1-8H,9-11H2,(H2,19,20,21,23)/b6-4-
InChIKeyOVIYQSMRIQCVCO-XQRVVYSFSA-N
MW372.33 g/mol
LogP1.59
Rot. Bonds6

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate (PubChem CID 2556117) has the molecular formula C18H16N2O7 and a molecular weight of 372.33 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
PubChem CID2556117
Molecular FormulaC18H16N2O7
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C\c1ccc2c(c1)OCO2)NC(=O)NCc1ccco1
InChIInChI=1S/C18H16N2O7/c21-16(20-18(23)19-9-13-2-1-7-24-13)10-25-17(22)6-4-12-3-5-14-15(8-12)27-11-26-14/h1-8H,9-11H2,(H2,19,20,21,23)/b6-4-
InChIKeyOVIYQSMRIQCVCO-XQRVVYSFSA-N
XLogP1.59
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 7971766
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 7880756
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 7780656
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 7623757
[2-oxo-2-(phenylcarbamoylamino)ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 8943745
[2-(3,5-dichloroanilino)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 4857447
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
CID 2552575
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 16596241
[2-(cyclopentylamino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 6062228
[2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 8705026
[2-(2-fluoroanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 2556695
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 2119601

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate (CID 2556117) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is O=C(COC(=O)/C=C\c1ccc2c(c1)OCO2)NC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate?
The InChIKey is OVIYQSMRIQCVCO-XQRVVYSFSA-N. The full InChI is InChI=1S/C18H16N2O7/c21-16(20-18(23)19-9-13-2-1-7-24-13)10-25-17(22)6-4-12-3-5-14-15(8-12)27-11-26-14/h1-8H,9-11H2,(H2,19,20,21,23)/b6-4-.
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate has a molecular weight of 372.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is sourced from PubChem (CID 2556117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).