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

C15H21N3O2 — CID 2221349

IUPAC1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H21N3O2/c1-2-9-16-15(20)17-11-12-5-7-13(8-6-12)18-10-3-4-14(18)19/h5-8H,2-4,9-11H2,1H3,(H2,16,17,20)
InChIKeyRRQGIGGRAAZBTI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.02
Rot. Bonds5

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

1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propylurea (PubChem CID 2221349) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propylurea
PubChem CID2221349
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H21N3O2/c1-2-9-16-15(20)17-11-12-5-7-13(8-6-12)18-10-3-4-14(18)19/h5-8H,2-4,9-11H2,1H3,(H2,16,17,20)
InChIKeyRRQGIGGRAAZBTI-UHFFFAOYSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.02
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-propylurea?
The IUPAC name of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propylurea (CID 2221349) is 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propylurea.
What is the SMILES notation for 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propylurea?
The canonical SMILES for 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propylurea is CCCNC(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propylurea?
The InChIKey is RRQGIGGRAAZBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-9-16-15(20)17-11-12-5-7-13(8-6-12)18-10-3-4-14(18)19/h5-8H,2-4,9-11H2,1H3,(H2,16,17,20).
What are the key properties of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propylurea?
1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propylurea has a molecular weight of 275.35 g/mol, XLogP of 2.02, 5 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-propylurea is sourced from PubChem (CID 2221349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).