methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate

C20H22N2O4 — CID 113062028

IUPACmethyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(CCNC(=O)c2ccc(C)cc2)C(C)=O)cc1
InChIInChI=1S/C20H22N2O4/c1-14-4-6-16(7-5-14)19(24)21-12-13-22(15(2)23)18-10-8-17(9-11-18)20(25)26-3/h4-11H,12-13H2,1-3H3,(H,21,24)
InChIKeyJSEPOFIJSPZLTN-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.56
Rot. Bonds6

About methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate

methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate (PubChem CID 113062028) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
PubChem CID113062028
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(CCNC(=O)c2ccc(C)cc2)C(C)=O)cc1
InChIInChI=1S/C20H22N2O4/c1-14-4-6-16(7-5-14)19(24)21-12-13-22(15(2)23)18-10-8-17(9-11-18)20(25)26-3/h4-11H,12-13H2,1-3H3,(H,21,24)
InChIKeyJSEPOFIJSPZLTN-UHFFFAOYSA-N
XLogP2.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113062034
methyl 4-[2-[(4-methylbenzoyl)amino]ethyl-methylsulfonylamino]benzoate
CID 113071226
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
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methyl 4-[acetyl-[2-(butanoylamino)ethyl]amino]benzoate
CID 113062014
methyl 4-[acetyl-[3-(4-methylanilino)-3-oxopropyl]amino]benzoate
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N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide
CID 113060353
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide
CID 113062950
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546
methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061960
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
ethyl 4-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113063225
N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
CID 113058431

Frequently Asked Questions

What is the IUPAC name of methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate?
The IUPAC name of methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate (CID 113062028) is methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate?
The canonical SMILES for methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate is COC(=O)c1ccc(N(CCNC(=O)c2ccc(C)cc2)C(C)=O)cc1.
What is the InChIKey of methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate?
The InChIKey is JSEPOFIJSPZLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-4-6-16(7-5-14)19(24)21-12-13-22(15(2)23)18-10-8-17(9-11-18)20(25)26-3/h4-11H,12-13H2,1-3H3,(H,21,24).
What are the key properties of methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate?
methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate is sourced from PubChem (CID 113062028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).