1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea

C17H30N4O3 — CID 23348610

IUPAC1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea
SMILESCCC(CNC(=O)NCC(CC)N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C17H30N4O3/c1-3-13(20-9-5-7-15(20)22)11-18-17(24)19-12-14(4-2)21-10-6-8-16(21)23/h13-14H,3-12H2,1-2H3,(H2,18,19,24)
InChIKeyLPHJXXWMYVCPLR-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.09
Rot. Bonds8

About 1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea

1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea (PubChem CID 23348610) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea.

Molecular Properties

Compound Name1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea
PubChem CID23348610
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea
SMILESCCC(CNC(=O)NCC(CC)N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C17H30N4O3/c1-3-13(20-9-5-7-15(20)22)11-18-17(24)19-12-14(4-2)21-10-6-8-16(21)23/h13-14H,3-12H2,1-2H3,(H2,18,19,24)
InChIKeyLPHJXXWMYVCPLR-UHFFFAOYSA-N
XLogP1.09
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea?
The IUPAC name of 1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea (CID 23348610) is 1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea.
What is the SMILES notation for 1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea?
The canonical SMILES for 1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea is CCC(CNC(=O)NCC(CC)N1CCCC1=O)N1CCCC1=O.
What is the InChIKey of 1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea?
The InChIKey is LPHJXXWMYVCPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-3-13(20-9-5-7-15(20)22)11-18-17(24)19-12-14(4-2)21-10-6-8-16(21)23/h13-14H,3-12H2,1-2H3,(H2,18,19,24).
What are the key properties of 1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea?
1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea has a molecular weight of 338.45 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2-(2-oxopyrrolidin-1-yl)butyl]urea is sourced from PubChem (CID 23348610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).