1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea

C8H18N2O2 — CID 63778443

IUPAC1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(C)(C)O
InChIInChI=1S/C8H18N2O2/c1-6(2)10-7(11)9-5-8(3,4)12/h6,12H,5H2,1-4H3,(H2,9,10,11)
InChIKeySOWVLHBVLFHTDE-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.46
Rot. Bonds3

About 1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea

1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea (PubChem CID 63778443) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea
PubChem CID63778443
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(C)(C)O
InChIInChI=1S/C8H18N2O2/c1-6(2)10-7(11)9-5-8(3,4)12/h6,12H,5H2,1-4H3,(H2,9,10,11)
InChIKeySOWVLHBVLFHTDE-UHFFFAOYSA-N
XLogP0.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea 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-2-methylpropyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea (CID 63778443) is 1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea is CC(C)NC(=O)NCC(C)(C)O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea?
The InChIKey is SOWVLHBVLFHTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(2)10-7(11)9-5-8(3,4)12/h6,12H,5H2,1-4H3,(H2,9,10,11).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea?
1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea has a molecular weight of 174.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-3-propan-2-ylurea is sourced from PubChem (CID 63778443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).