1-butyl-3-(2-hydroxypropyl)urea

C8H18N2O2 — CID 22381453

IUPAC1-butyl-3-(2-hydroxypropyl)urea
SMILESCCCCNC(=O)NCC(C)O
InChIInChI=1S/C8H18N2O2/c1-3-4-5-9-8(12)10-6-7(2)11/h7,11H,3-6H2,1-2H3,(H2,9,10,12)
InChIKeyFGLXWJPUJGNDPC-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.47
Rot. Bonds5

About 1-butyl-3-(2-hydroxypropyl)urea

1-butyl-3-(2-hydroxypropyl)urea (PubChem CID 22381453) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-butyl-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-hydroxypropyl)urea
PubChem CID22381453
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-butyl-3-(2-hydroxypropyl)urea
SMILESCCCCNC(=O)NCC(C)O
InChIInChI=1S/C8H18N2O2/c1-3-4-5-9-8(12)10-6-7(2)11/h7,11H,3-6H2,1-2H3,(H2,9,10,12)
InChIKeyFGLXWJPUJGNDPC-UHFFFAOYSA-N
XLogP0.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-butyl-3-(2-hydroxypropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-butyl-3-(2-hydroxypropyl)urea (CID 22381453) is 1-butyl-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-butyl-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-butyl-3-(2-hydroxypropyl)urea is CCCCNC(=O)NCC(C)O.
What is the InChIKey of 1-butyl-3-(2-hydroxypropyl)urea?
The InChIKey is FGLXWJPUJGNDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-3-4-5-9-8(12)10-6-7(2)11/h7,11H,3-6H2,1-2H3,(H2,9,10,12).
What are the key properties of 1-butyl-3-(2-hydroxypropyl)urea?
1-butyl-3-(2-hydroxypropyl)urea has a molecular weight of 174.24 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 22381453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).