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

C19H20N2O4 — CID 26688492

IUPACmethyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H20N2O4/c1-13-5-3-4-6-16(13)18(23)20-12-11-17(22)21-15-9-7-14(8-10-15)19(24)25-2/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNRFGMSUGGBSCJH-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.54
Rot. Bonds6

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

methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate (PubChem CID 26688492) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
PubChem CID26688492
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H20N2O4/c1-13-5-3-4-6-16(13)18(23)20-12-11-17(22)21-15-9-7-14(8-10-15)19(24)25-2/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyNRFGMSUGGBSCJH-UHFFFAOYSA-N
XLogP2.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26704483
methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7741241
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472
2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide
CID 26017533
2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide
CID 9076728
methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9086797
N-[3-(3-ethynylanilino)-3-oxopropyl]-2-methylbenzamide
CID 46529788
N-[3-[4-bromo-3-(trifluoromethyl)anilino]-3-oxopropyl]-2-methylbenzamide
CID 26921450
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 27160887
methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999954
methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate
CID 108899743

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate?
The IUPAC name of methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate (CID 26688492) is methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate.
What is the SMILES notation for methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate?
The canonical SMILES for methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate is COC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2C)cc1.
What is the InChIKey of methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate?
The InChIKey is NRFGMSUGGBSCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-5-3-4-6-16(13)18(23)20-12-11-17(22)21-15-9-7-14(8-10-15)19(24)25-2/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate?
methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate is sourced from PubChem (CID 26688492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).