methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate

C18H19NO3 — CID 108785438

IUPACmethyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C18H19NO3/c1-11-9-12(2)16(13(3)10-11)19-17(20)14-7-5-6-8-15(14)18(21)22-4/h5-10H,1-4H3,(H,19,20)
InChIKeyOHEQULLTQMSZAH-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.65
Rot. Bonds3

About methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate

methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate (PubChem CID 108785438) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
PubChem CID108785438
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C18H19NO3/c1-11-9-12(2)16(13(3)10-11)19-17(20)14-7-5-6-8-15(14)18(21)22-4/h5-10H,1-4H3,(H,19,20)
InChIKeyOHEQULLTQMSZAH-UHFFFAOYSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
2-hydrazinyl-N-(2,4,6-trimethylphenyl)benzamide
CID 62235197
2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 8760033
2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 7899789
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
N-(2-amino-4,6-dimethylphenyl)-2-methoxybenzamide
CID 56773272
methyl 2-[[2-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142444
methyl 2-[[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]amino]benzoate
CID 9339387
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
4-hydroxy-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 103863704
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
3-methyl-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 4255599

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate?
The IUPAC name of methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate (CID 108785438) is methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate?
The InChIKey is OHEQULLTQMSZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-11-9-12(2)16(13(3)10-11)19-17(20)14-7-5-6-8-15(14)18(21)22-4/h5-10H,1-4H3,(H,19,20).
What are the key properties of methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate?
methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate is sourced from PubChem (CID 108785438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).