1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

C22H27N3O2 — CID 108876896

IUPAC1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCC(C)N1CC(NC(=O)N(Cc2ccccc2)Cc2ccccc2)CC1=O
InChIInChI=1S/C22H27N3O2/c1-17(2)25-16-20(13-21(25)26)23-22(27)24(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H,23,27)
InChIKeyCPHMJGIIMBIDCP-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.41
Rot. Bonds6

About 1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (PubChem CID 108876896) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
PubChem CID108876896
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
SMILESCC(C)N1CC(NC(=O)N(Cc2ccccc2)Cc2ccccc2)CC1=O
InChIInChI=1S/C22H27N3O2/c1-17(2)25-16-20(13-21(25)26)23-22(27)24(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H,23,27)
InChIKeyCPHMJGIIMBIDCP-UHFFFAOYSA-N
XLogP3.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969207
1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea
CID 108875855
1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969205
1-benzyl-1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564047
2-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736726
2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 110736656
2-(4-bromophenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736735
1-(3-benzylsulfonylpropyl)-3-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]urea
CID 95786499
1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 122558093
1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
CID 7545609
3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
CID 108876584
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide
CID 110736702

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea (CID 108876896) is 1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is CC(C)N1CC(NC(=O)N(Cc2ccccc2)Cc2ccccc2)CC1=O.
What is the InChIKey of 1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
The InChIKey is CPHMJGIIMBIDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17(2)25-16-20(13-21(25)26)23-22(27)24(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H,23,27).
What are the key properties of 1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea?
1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea has a molecular weight of 365.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 108876896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).