methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate

C16H15NO6 — CID 18122246

IUPACmethyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1COC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H15NO6/c1-10(18)17-13-5-3-11(4-6-13)15(19)23-9-12-7-8-22-14(12)16(20)21-2/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyZPIBDPABPDRQAN-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.38
Rot. Bonds5

About methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate

methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate (PubChem CID 18122246) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate
PubChem CID18122246
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Namemethyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1COC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H15NO6/c1-10(18)17-13-5-3-11(4-6-13)15(19)23-9-12-7-8-22-14(12)16(20)21-2/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyZPIBDPABPDRQAN-UHFFFAOYSA-N
XLogP2.38
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-(4-methylbenzoyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 18122257
methyl 3-[(2,5-dimethylbenzoyl)oxymethyl]furan-2-carboxylate
CID 55458733
cyanomethyl 4-acetamidobenzoate
CID 2397740
(2,3,4,5,6-pentafluorophenyl)methyl 4-acetamidobenzoate
CID 7957966
methyl 3-[[3-(ethylsulfamoyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 55475256
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
methyl 3-[(3-nitro-4-piperidin-1-ylbenzoyl)oxymethyl]furan-2-carboxylate
CID 18122238
(3-methyl-1,2-oxazol-5-yl)methyl 4-acetamidobenzoate
CID 18098473
ethyl 4-(4-acetamidophenyl)benzoate
CID 134688952
(4-propan-2-ylphenyl)methyl 4-acetamidobenzoate
CID 7957948
(2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate
CID 27011161
(4-methoxycarbonylphenyl) 4-acetamidobenzoate
CID 7761360

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate (CID 18122246) is methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate is COC(=O)c1occc1COC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate?
The InChIKey is ZPIBDPABPDRQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6/c1-10(18)17-13-5-3-11(4-6-13)15(19)23-9-12-7-8-22-14(12)16(20)21-2/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate?
methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate has a molecular weight of 317.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-acetamidobenzoyl)oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 18122246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).