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

C21H24N2O4 — CID 26704483

IUPACpropyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C21H24N2O4/c1-3-14-27-21(26)16-8-10-17(11-9-16)23-19(24)12-13-22-20(25)18-7-5-4-6-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOSYMZOLRIOATBR-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.32
Rot. Bonds8

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

propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate (PubChem CID 26704483) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate.

Molecular Properties

Compound Namepropyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
PubChem CID26704483
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namepropyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C21H24N2O4/c1-3-14-27-21(26)16-8-10-17(11-9-16)23-19(24)12-13-22-20(25)18-7-5-4-6-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOSYMZOLRIOATBR-UHFFFAOYSA-N
XLogP3.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26688492
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472
propyl 4-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
CID 17191638
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
3-methylbutyl 4-[(2-methylbenzoyl)amino]benzoate
CID 19165435
propyl 4-[[2-[4-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54812704
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
butyl 4-[[2-[(2-iodobenzoyl)amino]acetyl]amino]benzoate
CID 35143035
propyl 4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzoate
CID 54812904
propyl 4-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54838891
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
CID 7811220
propyl 4-(5-chloropentanoylamino)benzoate
CID 43167866

Frequently Asked Questions

What is the IUPAC name of propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate?
The IUPAC name of propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate (CID 26704483) is propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate.
What is the SMILES notation for propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate?
The canonical SMILES for propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate is CCCOC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2C)cc1.
What is the InChIKey of propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate?
The InChIKey is OSYMZOLRIOATBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-14-27-21(26)16-8-10-17(11-9-16)23-19(24)12-13-22-20(25)18-7-5-4-6-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate?
propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate has a molecular weight of 368.43 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate is sourced from PubChem (CID 26704483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).