methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate

C20H21N3O4 — CID 108876461

IUPACmethyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H21N3O4/c1-27-19(25)16-9-5-6-10-17(16)22-20(26)21-15-11-18(24)23(13-15)12-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3,(H2,21,22,26)
InChIKeyLGRJLYOEQXDMBK-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.40
Rot. Bonds5

About methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate

methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate (PubChem CID 108876461) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
PubChem CID108876461
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namemethyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NC1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H21N3O4/c1-27-19(25)16-9-5-6-10-17(16)22-20(26)21-15-11-18(24)23(13-15)12-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3,(H2,21,22,26)
InChIKeyLGRJLYOEQXDMBK-UHFFFAOYSA-N
XLogP2.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
CID 108876636
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-chloro-2-methoxy-5-methylphenyl)urea
CID 108876656
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 5223111
[2-(2-methoxycarbonylanilino)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 1180424
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
CID 108876474
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,6-difluorophenyl)urea
CID 108876524
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid
CID 108876522
benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate
CID 154897684

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate (CID 108876461) is methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)NC1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate?
The InChIKey is LGRJLYOEQXDMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-27-19(25)16-9-5-6-10-17(16)22-20(26)21-15-11-18(24)23(13-15)12-14-7-3-2-4-8-14/h2-10,15H,11-13H2,1H3,(H2,21,22,26).
What are the key properties of methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate?
methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate has a molecular weight of 367.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate is sourced from PubChem (CID 108876461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).