[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate

C16H17NO7 — CID 90082253

IUPAC[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate
SMILESCCOC(=O)Nc1oc(-c2cccc(OC)c2)c(O)c1OC(C)=O
InChIInChI=1S/C16H17NO7/c1-4-22-16(20)17-15-14(23-9(2)18)12(19)13(24-15)10-6-5-7-11(8-10)21-3/h5-8,19H,4H2,1-3H3,(H,17,20)
InChIKeyMGGHTNMGXWOPOS-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.15
Rot. Bonds5

About [2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate

[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate (PubChem CID 90082253) has the molecular formula C16H17NO7 and a molecular weight of 335.31 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate
PubChem CID90082253
Molecular FormulaC16H17NO7
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Name[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate
SMILESCCOC(=O)Nc1oc(-c2cccc(OC)c2)c(O)c1OC(C)=O
InChIInChI=1S/C16H17NO7/c1-4-22-16(20)17-15-14(23-9(2)18)12(19)13(24-15)10-6-5-7-11(8-10)21-3/h5-8,19H,4H2,1-3H3,(H,17,20)
InChIKeyMGGHTNMGXWOPOS-UHFFFAOYSA-N
XLogP3.15
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[3,4-dihydroxy-5-(3-methoxyphenyl)furan-2-yl]carbamate
CID 90081283
[2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90081391
ethyl N-[5-(3,5-dimethoxyphenyl)-3,4-dihydroxyfuran-2-yl]carbamate
CID 90081736
4-bromo-N-[4-hydroxy-5-(3-methoxyphenyl)-3-trimethylsilyloxyfuran-2-yl]butanamide
CID 90081289
ethyl N-[5-(3,4-difluorophenyl)-3,4-dihydroxyfuran-2-yl]carbamate
CID 90081156
[2-(4-bromobutanoylamino)-4-hydroxy-5-phenylfuran-3-yl] acetate
CID 90081678
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153
[5-(2,5-dimethoxyphenyl)-2-(ethoxycarbonylamino)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834386
[2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082113
ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate
CID 13172203
[2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082257

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate?
The IUPAC name of [2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate (CID 90082253) is [2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate?
The canonical SMILES for [2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate is CCOC(=O)Nc1oc(-c2cccc(OC)c2)c(O)c1OC(C)=O.
What is the InChIKey of [2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate?
The InChIKey is MGGHTNMGXWOPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO7/c1-4-22-16(20)17-15-14(23-9(2)18)12(19)13(24-15)10-6-5-7-11(8-10)21-3/h5-8,19H,4H2,1-3H3,(H,17,20).
What are the key properties of [2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate?
[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate has a molecular weight of 335.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate is sourced from PubChem (CID 90082253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).