[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate

C12H14N2O5 — CID 5151438

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
SMILESCCNC(=O)NC(=O)COC(=O)C=Cc1ccco1
InChIInChI=1S/C12H14N2O5/c1-2-13-12(17)14-10(15)8-19-11(16)6-5-9-4-3-7-18-9/h3-7H,2,8H2,1H3,(H2,13,14,15,17)
InChIKeyVWABZDOXNOVDMW-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.68
Rot. Bonds5

About [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate (PubChem CID 5151438) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
PubChem CID5151438
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
SMILESCCNC(=O)NC(=O)COC(=O)C=Cc1ccco1
InChIInChI=1S/C12H14N2O5/c1-2-13-12(17)14-10(15)8-19-11(16)6-5-9-4-3-7-18-9/h3-7H,2,8H2,1H3,(H2,13,14,15,17)
InChIKeyVWABZDOXNOVDMW-UHFFFAOYSA-N
XLogP0.68
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3490448
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
[2-(butylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2429932
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010200
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2380128
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5146395
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010109
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852080
[3-[3-(furan-2-yl)prop-2-enoyloxy]-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate
CID 3400070
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3984156
butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
[2-(ethylcarbamoylamino)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2516314

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate (CID 5151438) is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate is CCNC(=O)NC(=O)COC(=O)C=Cc1ccco1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
The InChIKey is VWABZDOXNOVDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-2-13-12(17)14-10(15)8-19-11(16)6-5-9-4-3-7-18-9/h3-7H,2,8H2,1H3,(H2,13,14,15,17).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate has a molecular weight of 266.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 5151438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).