ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate

C15H17NO7 — CID 90081736

IUPACethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate
SMILESCCOC(=O)Nc1oc(-c2cc(OC)cc(OC)c2)c(O)c1O
InChIInChI=1S/C15H17NO7/c1-4-22-15(19)16-14-12(18)11(17)13(23-14)8-5-9(20-2)7-10(6-8)21-3/h5-7,17-18H,4H2,1-3H3,(H,16,19)
InChIKeyDKZORWZQYKTQAL-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.94
Rot. Bonds5

About ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate

ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate (PubChem CID 90081736) has the molecular formula C15H17NO7 and a molecular weight of 323.30 g/mol. Its IUPAC name is ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate
PubChem CID90081736
Molecular FormulaC15H17NO7
Molecular Weight323.30 g/mol
Exact Mass323.10
IUPAC Nameethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate
SMILESCCOC(=O)Nc1oc(-c2cc(OC)cc(OC)c2)c(O)c1O
InChIInChI=1S/C15H17NO7/c1-4-22-15(19)16-14-12(18)11(17)13(23-14)8-5-9(20-2)7-10(6-8)21-3/h5-7,17-18H,4H2,1-3H3,(H,16,19)
InChIKeyDKZORWZQYKTQAL-UHFFFAOYSA-N
XLogP2.94
TPSA110.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-Acetamido-5-(2,6-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90080289
[2-Benzamido-5-(2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90080325
ethyl N-[5-(5-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
CID 90080328
ethyl N-[5-(3-chloro-2-fluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
CID 90080412
[2-Benzamido-5-(2,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90080550
N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
CID 90080667
[2-Benzamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90080678
[2-Acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90080723
N-[5-(3,5-difluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
CID 90080755
N-[5-(2,3-difluorophenyl)-3,4-dihydroxyfuran-2-yl]benzamide
CID 90080780
[2-Acetamido-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90080782
[5-(3,4-Difluorophenyl)-2-(ethoxycarbonylamino)-4-hydroxyfuran-3-yl] acetate
CID 90080863

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The IUPAC name of ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate (CID 90081736) is ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate is CCOC(=O)Nc1oc(-c2cc(OC)cc(OC)c2)c(O)c1O.
What is the InChIKey of ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
The InChIKey is DKZORWZQYKTQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO7/c1-4-22-15(19)16-14-12(18)11(17)13(23-14)8-5-9(20-2)7-10(6-8)21-3/h5-7,17-18H,4H2,1-3H3,(H,16,19).
What are the key properties of ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate?
ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate has a molecular weight of 323.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate is sourced from PubChem (CID 90081736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).