methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate

C14H13NO4 — CID 2767877

IUPACmethyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2)o1
InChIInChI=1S/C14H13NO4/c1-9-3-5-10(6-4-9)13(16)15-12-8-7-11(19-12)14(17)18-2/h3-8H,1-2H3,(H,15,16)
InChIKeyDZSOZSKDCRRWNP-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.63
Rot. Bonds3

About methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate

methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate (PubChem CID 2767877) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate
PubChem CID2767877
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namemethyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(C)cc2)o1
InChIInChI=1S/C14H13NO4/c1-9-3-5-10(6-4-9)13(16)15-12-8-7-11(19-12)14(17)18-2/h3-8H,1-2H3,(H,15,16)
InChIKeyDZSOZSKDCRRWNP-UHFFFAOYSA-N
XLogP2.63
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate (CID 2767877) is methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate is COC(=O)c1ccc(NC(=O)c2ccc(C)cc2)o1.
What is the InChIKey of methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate?
The InChIKey is DZSOZSKDCRRWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-3-5-10(6-4-9)13(16)15-12-8-7-11(19-12)14(17)18-2/h3-8H,1-2H3,(H,15,16).
What are the key properties of methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate?
methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methylbenzoyl)amino]furan-2-carboxylate is sourced from PubChem (CID 2767877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).