1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea

C10H22N2O3 — CID 134215849

IUPAC1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea
SMILESCCC(C)(C)OCC(O)CNC(=O)NC
InChIInChI=1S/C10H22N2O3/c1-5-10(2,3)15-7-8(13)6-12-9(14)11-4/h8,13H,5-7H2,1-4H3,(H2,11,12,14)
InChIKeyVSAIFUHUBPHHJC-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.48
Rot. Bonds6

About 1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea

1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea (PubChem CID 134215849) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea
PubChem CID134215849
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea
SMILESCCC(C)(C)OCC(O)CNC(=O)NC
InChIInChI=1S/C10H22N2O3/c1-5-10(2,3)15-7-8(13)6-12-9(14)11-4/h8,13H,5-7H2,1-4H3,(H2,11,12,14)
InChIKeyVSAIFUHUBPHHJC-UHFFFAOYSA-N
XLogP0.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea 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-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea?
The IUPAC name of 1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea (CID 134215849) is 1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea.
What is the SMILES notation for 1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea?
The canonical SMILES for 1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea is CCC(C)(C)OCC(O)CNC(=O)NC.
What is the InChIKey of 1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea?
The InChIKey is VSAIFUHUBPHHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-5-10(2,3)15-7-8(13)6-12-9(14)11-4/h8,13H,5-7H2,1-4H3,(H2,11,12,14).
What are the key properties of 1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea?
1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea has a molecular weight of 218.30 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea is sourced from PubChem (CID 134215849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).