[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate

C17H17N3O6 — CID 7949805

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H17N3O6/c1-11(21)19-13-6-4-12(5-7-13)16(23)26-10-15(22)20-17(24)18-9-14-3-2-8-25-14/h2-8H,9-10H2,1H3,(H,19,21)(H2,18,20,22,24)
InChIKeyDQSAHCLEPBHSPS-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.42
Rot. Bonds6

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 7949805) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
PubChem CID7949805
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H17N3O6/c1-11(21)19-13-6-4-12(5-7-13)16(23)26-10-15(22)20-17(24)18-9-14-3-2-8-25-14/h2-8H,9-10H2,1H3,(H,19,21)(H2,18,20,22,24)
InChIKeyDQSAHCLEPBHSPS-UHFFFAOYSA-N
XLogP1.42
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631789
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504373
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate
CID 2998047
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-[(2,5-dimethylphenyl)sulfonylamino]benzoate
CID 2630934
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413781
butyl 4-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethoxy]benzoate
CID 7984445
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
CID 16526023
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556770
N-(4-acetamidophenyl)-2-[ethyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 8779537
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2488908

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate (CID 7949805) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)cc1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is DQSAHCLEPBHSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-11(21)19-13-6-4-12(5-7-13)16(23)26-10-15(22)20-17(24)18-9-14-3-2-8-25-14/h2-8H,9-10H2,1H3,(H,19,21)(H2,18,20,22,24).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate has a molecular weight of 359.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate is sourced from PubChem (CID 7949805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).