1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea

C26H27N3O2 — CID 108875855

IUPAC1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea
SMILESCC(c1ccccc1)N1CC(NC(=O)N(Cc2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C26H27N3O2/c1-20(22-13-7-3-8-14-22)28-19-23(17-25(28)30)27-26(31)29(24-15-9-4-10-16-24)18-21-11-5-2-6-12-21/h2-16,20,23H,17-19H2,1H3,(H,27,31)
InChIKeyKXLMZLMBMSMCEL-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.76
Rot. Bonds6

About 1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea

1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea (PubChem CID 108875855) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea.

Molecular Properties

Compound Name1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea
PubChem CID108875855
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea
SMILESCC(c1ccccc1)N1CC(NC(=O)N(Cc2ccccc2)c2ccccc2)CC1=O
InChIInChI=1S/C26H27N3O2/c1-20(22-13-7-3-8-14-22)28-19-23(17-25(28)30)27-26(31)29(24-15-9-4-10-16-24)18-21-11-5-2-6-12-21/h2-16,20,23H,17-19H2,1H3,(H,27,31)
InChIKeyKXLMZLMBMSMCEL-UHFFFAOYSA-N
XLogP4.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876896
1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875834
4-ethyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
CID 108875871
N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
CID 108875898
methyl 2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]acetate
CID 108875961
4-[[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 108875798
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
1-[(3-chlorophenyl)methyl]-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875971
2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 108875809
1-(2,6-dichlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875924
1-(3,5-dimethylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875895
1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969205

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea?
The IUPAC name of 1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea (CID 108875855) is 1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea.
What is the SMILES notation for 1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea?
The canonical SMILES for 1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea is CC(c1ccccc1)N1CC(NC(=O)N(Cc2ccccc2)c2ccccc2)CC1=O.
What is the InChIKey of 1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea?
The InChIKey is KXLMZLMBMSMCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-20(22-13-7-3-8-14-22)28-19-23(17-25(28)30)27-26(31)29(24-15-9-4-10-16-24)18-21-11-5-2-6-12-21/h2-16,20,23H,17-19H2,1H3,(H,27,31).
What are the key properties of 1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea?
1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea has a molecular weight of 413.52 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea is sourced from PubChem (CID 108875855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).