3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid

C18H17NO5 — CID 141031699

IUPAC3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid
SMILESCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)cc(C(=O)O)c1C
InChIInChI=1S/C18H17NO5/c1-10-4-6-12(7-5-10)16(20)19-13-8-14(17(21)22)11(2)15(9-13)18(23)24-3/h4-9H,1-3H3,(H,19,20)(H,21,22)
InChIKeyUEEIYAPKSVPAAZ-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.04
Rot. Bonds4

About 3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid

3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid (PubChem CID 141031699) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid
PubChem CID141031699
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid
SMILESCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)cc(C(=O)O)c1C
InChIInChI=1S/C18H17NO5/c1-10-4-6-12(7-5-10)16(20)19-13-8-14(17(21)22)11(2)15(9-13)18(23)24-3/h4-9H,1-3H3,(H,19,20)(H,21,22)
InChIKeyUEEIYAPKSVPAAZ-UHFFFAOYSA-N
XLogP3.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate
CID 838131
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
2,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 161042789
2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid
CID 59023663
2,3-dimethyl-5-(pyridine-4-carbonylamino)benzoic acid
CID 63021015
3-(4-methoxyphenyl)-5-[(4-methylbenzoyl)amino]benzoic acid
CID 164625810
3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
CID 16773490
4-methyl-N-(3,4,5-trichlorophenyl)benzamide
CID 18739044
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
N-(3,5-diformylphenyl)-4-methylbenzamide
CID 163216310
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254

Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid (CID 141031699) is 3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid is COC(=O)c1cc(NC(=O)c2ccc(C)cc2)cc(C(=O)O)c1C.
What is the InChIKey of 3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid?
The InChIKey is UEEIYAPKSVPAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-10-4-6-12(7-5-10)16(20)19-13-8-14(17(21)22)11(2)15(9-13)18(23)24-3/h4-9H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid?
3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid has a molecular weight of 327.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 141031699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).