(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate

C20H17NO5 — CID 51205552

IUPAC(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
SMILESCOc1cc(C)ccc1OC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H17NO5/c1-13-5-10-16(18(12-13)24-2)26-20(23)14-6-8-15(9-7-14)21-19(22)17-4-3-11-25-17/h3-12H,1-2H3,(H,21,22)
InChIKeyAQZUIVMHSYEIJV-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.07
Rot. Bonds5

About (2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate

(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate (PubChem CID 51205552) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is (2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
PubChem CID51205552
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
SMILESCOc1cc(C)ccc1OC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H17NO5/c1-13-5-10-16(18(12-13)24-2)26-20(23)14-6-8-15(9-7-14)21-19(22)17-4-3-11-25-17/h3-12H,1-2H3,(H,21,22)
InChIKeyAQZUIVMHSYEIJV-UHFFFAOYSA-N
XLogP4.07
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
(3,4-dimethylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 761866
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
(4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate
CID 7734391
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-[4-[[1-[4-[(2-methoxy-4-methylbenzoyl)amino]phenyl]cyclobutyl]carbamoyl]phenyl]furan-2-carboxamide
CID 171683694
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
N-[4-[(3-benzyl-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27038930
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
CID 32521036

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of (2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate (CID 51205552) is (2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for (2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for (2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate is COc1cc(C)ccc1OC(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of (2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate?
The InChIKey is AQZUIVMHSYEIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-13-5-10-16(18(12-13)24-2)26-20(23)14-6-8-15(9-7-14)21-19(22)17-4-3-11-25-17/h3-12H,1-2H3,(H,21,22).
What are the key properties of (2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate?
(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate has a molecular weight of 351.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 51205552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).