2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

C16H17NO7 — CID 24530674

IUPAC2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)OCCO)cc1OC
InChIInChI=1S/C16H17NO7/c1-21-13-8-10(16(20)24-7-5-18)11(9-14(13)22-2)17-15(19)12-4-3-6-23-12/h3-4,6,8-9,18H,5,7H2,1-2H3,(H,17,19)
InChIKeySBQAXBQSHNFOKV-UHFFFAOYSA-N
MW335.31 g/mol
LogP1.70
Rot. Bonds7

About 2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate

2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (PubChem CID 24530674) has the molecular formula C16H17NO7 and a molecular weight of 335.31 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
PubChem CID24530674
Molecular FormulaC16H17NO7
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Name2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)OCCO)cc1OC
InChIInChI=1S/C16H17NO7/c1-21-13-8-10(16(20)24-7-5-18)11(9-14(13)22-2)17-15(19)12-4-3-6-23-12/h3-4,6,8-9,18H,5,7H2,1-2H3,(H,17,19)
InChIKeySBQAXBQSHNFOKV-UHFFFAOYSA-N
XLogP1.70
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534373
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 30758901
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3998206
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534409
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534388
(2-bromo-4-fluorophenyl)methyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16597412
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2627097
N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119501659
N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
CID 2989497
methyl 2-[3-(furan-2-carbonylamino)propanoylamino]-4,5-dimethoxybenzoate
CID 4788337
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2511354
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 46605884

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The IUPAC name of 2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate (CID 24530674) is 2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for 2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for 2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is COc1cc(NC(=O)c2ccco2)c(C(=O)OCCO)cc1OC.
What is the InChIKey of 2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
The InChIKey is SBQAXBQSHNFOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO7/c1-21-13-8-10(16(20)24-7-5-18)11(9-14(13)22-2)17-15(19)12-4-3-6-23-12/h3-4,6,8-9,18H,5,7H2,1-2H3,(H,17,19).
What are the key properties of 2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate?
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate has a molecular weight of 335.31 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 24530674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).