N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide

C13H13NO5 — CID 90081194

IUPACN-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide
SMILESCOc1ccc(-c2oc(NC(C)=O)c(O)c2O)cc1
InChIInChI=1S/C13H13NO5/c1-7(15)14-13-11(17)10(16)12(19-13)8-3-5-9(18-2)6-4-8/h3-6,16-17H,1-2H3,(H,14,15)
InChIKeyDHALVHFBWMYALA-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.32
Rot. Bonds3

About N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide

N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide (PubChem CID 90081194) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide
PubChem CID90081194
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC NameN-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide
SMILESCOc1ccc(-c2oc(NC(C)=O)c(O)c2O)cc1
InChIInChI=1S/C13H13NO5/c1-7(15)14-13-11(17)10(16)12(19-13)8-3-5-9(18-2)6-4-8/h3-6,16-17H,1-2H3,(H,14,15)
InChIKeyDHALVHFBWMYALA-UHFFFAOYSA-N
XLogP2.32
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate
CID 90081736
ethyl N-[3,4-dihydroxy-5-(3-methoxyphenyl)furan-2-yl]carbamate
CID 90081283
1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione
CID 90080924
N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
CID 90081764
N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
CID 15512805
[2-(2,5-dioxopyrrolidin-1-yl)-4-hydroxy-5-(4-methoxyphenyl)furan-3-yl] acetate
CID 90081245
3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 10643114
3-hydroxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
CID 850149
dimethyl 1,3-bis(4-methoxyphenyl)-4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 132990625
ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
CID 90081156
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 141107611

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide (CID 90081194) is N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide is COc1ccc(-c2oc(NC(C)=O)c(O)c2O)cc1.
What is the InChIKey of N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide?
The InChIKey is DHALVHFBWMYALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-7(15)14-13-11(17)10(16)12(19-13)8-3-5-9(18-2)6-4-8/h3-6,16-17H,1-2H3,(H,14,15).
What are the key properties of N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide?
N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide has a molecular weight of 263.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide is sourced from PubChem (CID 90081194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).