1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea

C25H25N3O2 — CID 43969207

IUPAC1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESO=C(NC1CC(=O)N(c2ccccc2)C1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H25N3O2/c29-24-16-22(19-28(24)23-14-8-3-9-15-23)26-25(30)27(17-20-10-4-1-5-11-20)18-21-12-6-2-7-13-21/h1-15,22H,16-19H2,(H,26,30)
InChIKeyJYERABZBMCRXRP-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.20
Rot. Bonds6

About 1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea

1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea (PubChem CID 43969207) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
PubChem CID43969207
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESO=C(NC1CC(=O)N(c2ccccc2)C1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H25N3O2/c29-24-16-22(19-28(24)23-14-8-3-9-15-23)26-25(30)27(17-20-10-4-1-5-11-20)18-21-12-6-2-7-13-21/h1-15,22H,16-19H2,(H,26,30)
InChIKeyJYERABZBMCRXRP-UHFFFAOYSA-N
XLogP4.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564047
1-benzyl-3-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7215846
1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969205
1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
CID 7545609
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
1-ethyl-1-(2-hydroxyethyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513218
1-benzyl-1-butyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546791
1-benzyl-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7545625
1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876896
1-benzyl-1-butyl-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543894
1-benzyl-1-butyl-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7542919
benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate
CID 110736817

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea (CID 43969207) is 1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea is O=C(NC1CC(=O)N(c2ccccc2)C1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
The InChIKey is JYERABZBMCRXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24-16-22(19-28(24)23-14-8-3-9-15-23)26-25(30)27(17-20-10-4-1-5-11-20)18-21-12-6-2-7-13-21/h1-15,22H,16-19H2,(H,26,30).
What are the key properties of 1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea?
1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea has a molecular weight of 399.49 g/mol, XLogP of 4.20, 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-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 43969207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).