1,1-bis(1-hydroxypropan-2-yl)urea

C7H16N2O3 — CID 18328488

IUPAC1,1-bis(1-hydroxypropan-2-yl)urea
SMILESCC(CO)N(C(N)=O)C(C)CO
InChIInChI=1S/C7H16N2O3/c1-5(3-10)9(7(8)12)6(2)4-11/h5-6,10-11H,3-4H2,1-2H3,(H2,8,12)
InChIKeyXDFPUVHHWMPTSK-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.87
Rot. Bonds4

About 1,1-bis(1-hydroxypropan-2-yl)urea

1,1-bis(1-hydroxypropan-2-yl)urea (PubChem CID 18328488) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,1-bis(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1,1-bis(1-hydroxypropan-2-yl)urea
PubChem CID18328488
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name1,1-bis(1-hydroxypropan-2-yl)urea
SMILESCC(CO)N(C(N)=O)C(C)CO
InChIInChI=1S/C7H16N2O3/c1-5(3-10)9(7(8)12)6(2)4-11/h5-6,10-11H,3-4H2,1-2H3,(H2,8,12)
InChIKeyXDFPUVHHWMPTSK-UHFFFAOYSA-N
XLogP-0.87
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,1-bis(1-hydroxypropan-2-yl)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 1,1-bis(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1,1-bis(1-hydroxypropan-2-yl)urea (CID 18328488) is 1,1-bis(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1,1-bis(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1,1-bis(1-hydroxypropan-2-yl)urea is CC(CO)N(C(N)=O)C(C)CO.
What is the InChIKey of 1,1-bis(1-hydroxypropan-2-yl)urea?
The InChIKey is XDFPUVHHWMPTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-5(3-10)9(7(8)12)6(2)4-11/h5-6,10-11H,3-4H2,1-2H3,(H2,8,12).
What are the key properties of 1,1-bis(1-hydroxypropan-2-yl)urea?
1,1-bis(1-hydroxypropan-2-yl)urea has a molecular weight of 176.22 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 18328488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).