methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate

C19H21NO6 — CID 17416979

IUPACmethyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1c(C)cccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H21NO6/c1-11-7-6-8-13(16(11)19(22)26-5)20-18(21)12-9-14(23-2)17(25-4)15(10-12)24-3/h6-10H,1-5H3,(H,20,21)
InChIKeyXQDWGXJMUNTRAK-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.06
Rot. Bonds6

About methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate

methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate (PubChem CID 17416979) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate
PubChem CID17416979
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Namemethyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1c(C)cccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H21NO6/c1-11-7-6-8-13(16(11)19(22)26-5)20-18(21)12-9-14(23-2)17(25-4)15(10-12)24-3/h6-10H,1-5H3,(H,20,21)
InChIKeyXQDWGXJMUNTRAK-UHFFFAOYSA-N
XLogP3.06
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 3135418
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 157076630
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide
CID 4689852
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
[3-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927978
3,4,5-trimethoxy-N-(2-methyl-6-nitrophenyl)benzamide
CID 45051049

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate (CID 17416979) is methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate is COC(=O)c1c(C)cccc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate?
The InChIKey is XQDWGXJMUNTRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-11-7-6-8-13(16(11)19(22)26-5)20-18(21)12-9-14(23-2)17(25-4)15(10-12)24-3/h6-10H,1-5H3,(H,20,21).
What are the key properties of methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate?
methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate has a molecular weight of 359.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 17416979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).