1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea

C18H27N3O2 — CID 167971370

IUPAC1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea
SMILESCCC(C)(NC(=O)NC1CCN(C(C)C)C1=O)c1ccccc1
InChIInChI=1S/C18H27N3O2/c1-5-18(4,14-9-7-6-8-10-14)20-17(23)19-15-11-12-21(13(2)3)16(15)22/h6-10,13,15H,5,11-12H2,1-4H3,(H2,19,20,23)
InChIKeyYBRXQIJDVNXMNX-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.62
Rot. Bonds5

About 1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea

1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea (PubChem CID 167971370) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea
PubChem CID167971370
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea
SMILESCCC(C)(NC(=O)NC1CCN(C(C)C)C1=O)c1ccccc1
InChIInChI=1S/C18H27N3O2/c1-5-18(4,14-9-7-6-8-10-14)20-17(23)19-15-11-12-21(13(2)3)16(15)22/h6-10,13,15H,5,11-12H2,1-4H3,(H2,19,20,23)
InChIKeyYBRXQIJDVNXMNX-UHFFFAOYSA-N
XLogP2.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea?
The IUPAC name of 1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea (CID 167971370) is 1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea?
The canonical SMILES for 1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea is CCC(C)(NC(=O)NC1CCN(C(C)C)C1=O)c1ccccc1.
What is the InChIKey of 1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea?
The InChIKey is YBRXQIJDVNXMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-18(4,14-9-7-6-8-10-14)20-17(23)19-15-11-12-21(13(2)3)16(15)22/h6-10,13,15H,5,11-12H2,1-4H3,(H2,19,20,23).
What are the key properties of 1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea?
1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea has a molecular weight of 317.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-(2-phenylbutan-2-yl)urea is sourced from PubChem (CID 167971370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).