methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate

C18H19NO5 — CID 967197

IUPACmethyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C18H19NO5/c1-11-5-6-12(18(21)24-4)9-16(11)19-17(20)13-7-14(22-2)10-15(8-13)23-3/h5-10H,1-4H3,(H,19,20)
InChIKeyAVHYXLSWYUYYLB-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.05
Rot. Bonds5

About methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate

methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate (PubChem CID 967197) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
PubChem CID967197
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C18H19NO5/c1-11-5-6-12(18(21)24-4)9-16(11)19-17(20)13-7-14(22-2)10-15(8-13)23-3/h5-10H,1-4H3,(H,19,20)
InChIKeyAVHYXLSWYUYYLB-UHFFFAOYSA-N
XLogP3.05
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate
CID 9349702
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide
CID 2206635
methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
CID 63972775
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylbenzoate
CID 806985
methyl 4-methyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 4822407

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate (CID 967197) is methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate?
The InChIKey is AVHYXLSWYUYYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-11-5-6-12(18(21)24-4)9-16(11)19-17(20)13-7-14(22-2)10-15(8-13)23-3/h5-10H,1-4H3,(H,19,20).
What are the key properties of methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate?
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate has a molecular weight of 329.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate is sourced from PubChem (CID 967197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).