methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate

C19H20N2O4 — CID 17341399

IUPACmethyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate
SMILESCCC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1
InChIInChI=1S/C19H20N2O4/c1-4-17(22)20-14-10-8-13(9-11-14)18(23)21-16-7-5-6-15(12(16)2)19(24)25-3/h5-11H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKEZHSLKMGNWICY-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.38
Rot. Bonds5

About methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate

methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate (PubChem CID 17341399) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate
PubChem CID17341399
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate
SMILESCCC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1
InChIInChI=1S/C19H20N2O4/c1-4-17(22)20-14-10-8-13(9-11-14)18(23)21-16-7-5-6-15(12(16)2)19(24)25-3/h5-11H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyKEZHSLKMGNWICY-UHFFFAOYSA-N
XLogP3.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-chlorobenzoyl)amino]-2-methylbenzoate
CID 956522
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide
CID 2938137
methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
CID 17204969
dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate
CID 17309543
methyl 3-(ethoxycarbonylamino)-2-methylbenzoate
CID 60731584
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
methyl 3-(3-benzamidobutanoylamino)-2-methylbenzoate
CID 134044449
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
2-[(4-methoxybenzoyl)amino]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55655999
methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 43924425

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate?
The IUPAC name of methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate (CID 17341399) is methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate is CCC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1.
What is the InChIKey of methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate?
The InChIKey is KEZHSLKMGNWICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-17(22)20-14-10-8-13(9-11-14)18(23)21-16-7-5-6-15(12(16)2)19(24)25-3/h5-11H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate?
methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate has a molecular weight of 340.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[[4-(propanoylamino)benzoyl]amino]benzoate is sourced from PubChem (CID 17341399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).