2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

C17H17NO7 — CID 2569500

IUPAC2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(C)=O)cc(NC(=O)c2ccco2)c1OC
InChIInChI=1S/C17H17NO7/c1-10(19)9-25-17(21)11-7-12(15(23-3)14(8-11)22-2)18-16(20)13-5-4-6-24-13/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyVKUXDSVXDADFFG-UHFFFAOYSA-N
MW347.32 g/mol
LogP2.29
Rot. Bonds7

About 2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (PubChem CID 2569500) has the molecular formula C17H17NO7 and a molecular weight of 347.32 g/mol. Its IUPAC name is 2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
PubChem CID2569500
Molecular FormulaC17H17NO7
Molecular Weight347.32 g/mol
Exact Mass347.10
IUPAC Name2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(C)=O)cc(NC(=O)c2ccco2)c1OC
InChIInChI=1S/C17H17NO7/c1-10(19)9-25-17(21)11-7-12(15(23-3)14(8-11)22-2)18-16(20)13-5-4-6-24-13/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyVKUXDSVXDADFFG-UHFFFAOYSA-N
XLogP2.29
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The IUPAC name of 2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (CID 2569500) is 2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for 2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for 2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is COc1cc(C(=O)OCC(C)=O)cc(NC(=O)c2ccco2)c1OC.
What is the InChIKey of 2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The InChIKey is VKUXDSVXDADFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO7/c1-10(19)9-25-17(21)11-7-12(15(23-3)14(8-11)22-2)18-16(20)13-5-4-6-24-13/h4-8H,9H2,1-3H3,(H,18,20).
What are the key properties of 2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate has a molecular weight of 347.32 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 3-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 2569500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).