1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea

C18H19N3O2 — CID 1259714

IUPAC1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)Nc1ccccc1
InChIInChI=1S/C18H19N3O2/c22-17-7-4-12-21(17)16-10-8-14(9-11-16)13-19-18(23)20-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2,(H2,19,20,23)
InChIKeyDQBSRHKJPZCSRV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.14
Rot. Bonds4

About 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea

1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea (PubChem CID 1259714) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea
PubChem CID1259714
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)Nc1ccccc1
InChIInChI=1S/C18H19N3O2/c22-17-7-4-12-21(17)16-10-8-14(9-11-16)13-19-18(23)20-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2,(H2,19,20,23)
InChIKeyDQBSRHKJPZCSRV-UHFFFAOYSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea?
The IUPAC name of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea (CID 1259714) is 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea is O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1ccccc1.
What is the InChIKey of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea?
The InChIKey is DQBSRHKJPZCSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17-7-4-12-21(17)16-10-8-14(9-11-16)13-19-18(23)20-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-13H2,(H2,19,20,23).
What are the key properties of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea?
1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea has a molecular weight of 309.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylurea is sourced from PubChem (CID 1259714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).