[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate

C18H20N2O7 — CID 7813816

IUPAC[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate
SMILESCCOc1ccc(NC(=O)NC(=O)COC(=O)c2ccco2)cc1OCC
InChIInChI=1S/C18H20N2O7/c1-3-24-13-8-7-12(10-15(13)25-4-2)19-18(23)20-16(21)11-27-17(22)14-6-5-9-26-14/h5-10H,3-4,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyWMELSEGERPALMK-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.58
Rot. Bonds8

About [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate

[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 7813816) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate
PubChem CID7813816
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC Name[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate
SMILESCCOc1ccc(NC(=O)NC(=O)COC(=O)c2ccco2)cc1OCC
InChIInChI=1S/C18H20N2O7/c1-3-24-13-8-7-12(10-15(13)25-4-2)19-18(23)20-16(21)11-27-17(22)14-6-5-9-26-14/h5-10H,3-4,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyWMELSEGERPALMK-UHFFFAOYSA-N
XLogP2.58
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate
CID 9414037
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821118
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798734
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 41388905
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate
CID 2715177
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556770
[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate
CID 7851101
N-(3,4-dipropoxyphenyl)furan-2-carboxamide
CID 26212098
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-methoxybenzoate
CID 7485668
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 7500692
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate (CID 7813816) is [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate is CCOc1ccc(NC(=O)NC(=O)COC(=O)c2ccco2)cc1OCC.
What is the InChIKey of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is WMELSEGERPALMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7/c1-3-24-13-8-7-12(10-15(13)25-4-2)19-18(23)20-16(21)11-27-17(22)14-6-5-9-26-14/h5-10H,3-4,11H2,1-2H3,(H2,19,20,21,23).
What are the key properties of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate?
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 376.37 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 7813816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).