(4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate

C23H20N2O4 — CID 26962039

IUPAC(4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCN(C(=O)c1ccccc1C(=O)OCc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C23H20N2O4/c1-25(18-7-3-2-4-8-18)22(27)19-9-5-6-10-20(19)23(28)29-15-16-11-13-17(14-12-16)21(24)26/h2-14H,15H2,1H3,(H2,24,26)
InChIKeyUQFGYEAQGVCZRE-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.42
Rot. Bonds6

About (4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate

(4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate (PubChem CID 26962039) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
PubChem CID26962039
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCN(C(=O)c1ccccc1C(=O)OCc1ccc(C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C23H20N2O4/c1-25(18-7-3-2-4-8-18)22(27)19-9-5-6-10-20(19)23(28)29-15-16-11-13-17(14-12-16)21(24)26/h2-14H,15H2,1H3,(H2,24,26)
InChIKeyUQFGYEAQGVCZRE-UHFFFAOYSA-N
XLogP3.42
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 7738777
[3-(trifluoromethyl)phenyl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510899
(4-carbamoylphenyl)methyl 2-(methylamino)benzoate
CID 18136279
(4-carbamoylphenyl)methyl 2-benzamidobenzoate
CID 17410103
heptyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 91720801
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 7359899
(4-carbamoylphenyl)methyl 3-amino-2-methylbenzoate
CID 61321139
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 46543957
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510820
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 2706272
(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 42464208
[2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 2685461

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate?
The IUPAC name of (4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate (CID 26962039) is (4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for (4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate is CN(C(=O)c1ccccc1C(=O)OCc1ccc(C(N)=O)cc1)c1ccccc1.
What is the InChIKey of (4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate?
The InChIKey is UQFGYEAQGVCZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-25(18-7-3-2-4-8-18)22(27)19-9-5-6-10-20(19)23(28)29-15-16-11-13-17(14-12-16)21(24)26/h2-14H,15H2,1H3,(H2,24,26).
What are the key properties of (4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate?
(4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate has a molecular weight of 388.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 26962039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).