1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea

C12H23N3O2 — CID 113229167

IUPAC1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea
SMILESCCCCNC(=O)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-4-7-13-12(17)14-10(2)11(16)15-8-5-6-9-15/h10H,3-9H2,1-2H3,(H2,13,14,17)
InChIKeyPIVPQQAODZIZPX-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.10
Rot. Bonds5

About 1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea

1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea (PubChem CID 113229167) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea
PubChem CID113229167
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea
SMILESCCCCNC(=O)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-4-7-13-12(17)14-10(2)11(16)15-8-5-6-9-15/h10H,3-9H2,1-2H3,(H2,13,14,17)
InChIKeyPIVPQQAODZIZPX-UHFFFAOYSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid
CID 113408719
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
1-butyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590501
1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 42696645
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
CID 113408453
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 47481518
2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083652
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95275004
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]urea
CID 95275005
1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
CID 116657745

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea?
The IUPAC name of 1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea (CID 113229167) is 1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea is CCCCNC(=O)NC(C)C(=O)N1CCCC1.
What is the InChIKey of 1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea?
The InChIKey is PIVPQQAODZIZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-4-7-13-12(17)14-10(2)11(16)15-8-5-6-9-15/h10H,3-9H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea?
1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea has a molecular weight of 241.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)urea is sourced from PubChem (CID 113229167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).