methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate

C19H21NO3 — CID 9439805

IUPACmethyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H21NO3/c1-11-8-13(3)17(14(4)9-11)18(21)20-16-10-15(19(22)23-5)7-6-12(16)2/h6-10H,1-5H3,(H,20,21)
InChIKeyFBNALCPYAWPKAP-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.96
Rot. Bonds3

About methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate

methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate (PubChem CID 9439805) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
PubChem CID9439805
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namemethyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H21NO3/c1-11-8-13(3)17(14(4)9-11)18(21)20-16-10-15(19(22)23-5)7-6-12(16)2/h6-10H,1-5H3,(H,20,21)
InChIKeyFBNALCPYAWPKAP-UHFFFAOYSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate
CID 60934285
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate
CID 9349702
methyl 4-methyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 4822407
methyl 4-methyl-3-[(2,3,4,5-tetrafluorobenzoyl)amino]benzoate
CID 7920475
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate (CID 9439805) is methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate?
The InChIKey is FBNALCPYAWPKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-11-8-13(3)17(14(4)9-11)18(21)20-16-10-15(19(22)23-5)7-6-12(16)2/h6-10H,1-5H3,(H,20,21).
What are the key properties of methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate?
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate has a molecular weight of 311.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate is sourced from PubChem (CID 9439805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).