ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate

C22H24N2O4 — CID 28566722

IUPACethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1C
InChIInChI=1S/C22H24N2O4/c1-3-28-22(27)18-6-4-7-19(15(18)2)23-21(26)17-11-9-16(10-12-17)14-24-13-5-8-20(24)25/h4,6-7,9-12H,3,5,8,13-14H2,1-2H3,(H,23,26)
InChIKeyOWOOLLYXUQVGEK-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.55
Rot. Bonds6

About ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate

ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate (PubChem CID 28566722) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate
PubChem CID28566722
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Nameethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1C
InChIInChI=1S/C22H24N2O4/c1-3-28-22(27)18-6-4-7-19(15(18)2)23-21(26)17-11-9-16(10-12-17)14-24-13-5-8-20(24)25/h4,6-7,9-12H,3,5,8,13-14H2,1-2H3,(H,23,26)
InChIKeyOWOOLLYXUQVGEK-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate with MolForge

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Related Compounds

N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55380712
N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55466192
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203584
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 32760714
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281785
N-(5-methyl-1H-pyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 71935838
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 94872752
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzoate;hydrochloride
CID 163325539
methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 43924425
N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24614256

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate (CID 28566722) is ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1C.
What is the InChIKey of ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate?
The InChIKey is OWOOLLYXUQVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-28-22(27)18-6-4-7-19(15(18)2)23-21(26)17-11-9-16(10-12-17)14-24-13-5-8-20(24)25/h4,6-7,9-12H,3,5,8,13-14H2,1-2H3,(H,23,26).
What are the key properties of ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate?
ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate has a molecular weight of 380.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate is sourced from PubChem (CID 28566722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).