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

C22H23N3O5 — CID 37007748

IUPACmethyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1
InChIInChI=1S/C22H23N3O5/c1-30-20(27)13-23-21(28)16-7-9-18(10-8-16)24-22(29)17-5-2-4-15(12-17)14-25-11-3-6-19(25)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,23,28)(H,24,29)
InChIKeyJHNIUZOERWAYBM-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.96
Rot. Bonds7

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

methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate (PubChem CID 37007748) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate
PubChem CID37007748
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Namemethyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1
InChIInChI=1S/C22H23N3O5/c1-30-20(27)13-23-21(28)16-7-9-18(10-8-16)24-22(29)17-5-2-4-15(12-17)14-25-11-3-6-19(25)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,23,28)(H,24,29)
InChIKeyJHNIUZOERWAYBM-UHFFFAOYSA-N
XLogP1.96
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 134062959
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
N-[2-oxo-2-(propylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9163457
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325
N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9376524
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112841647
[2-formyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]boronic acid
CID 166430535
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36662906
tert-butyl N-[2-fluoro-5-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]carbamate
CID 55767886
methyl (2S)-3,3-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]butanoate
CID 56794232

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate (CID 37007748) is methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1.
What is the InChIKey of methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate?
The InChIKey is JHNIUZOERWAYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-30-20(27)13-23-21(28)16-7-9-18(10-8-16)24-22(29)17-5-2-4-15(12-17)14-25-11-3-6-19(25)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,23,28)(H,24,29).
What are the key properties of methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate?
methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate has a molecular weight of 409.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 37007748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).