1-(2,3-dihydroxypropyl)-3-propylurea

C7H16N2O3 — CID 66175837

IUPAC1-(2,3-dihydroxypropyl)-3-propylurea
SMILESCCCNC(=O)NCC(O)CO
InChIInChI=1S/C7H16N2O3/c1-2-3-8-7(12)9-4-6(11)5-10/h6,10-11H,2-5H2,1H3,(H2,8,9,12)
InChIKeyZBINEQHQJYKAOH-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.95
Rot. Bonds5

About 1-(2,3-dihydroxypropyl)-3-propylurea

1-(2,3-dihydroxypropyl)-3-propylurea (PubChem CID 66175837) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3-propylurea.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-3-propylurea
PubChem CID66175837
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name1-(2,3-dihydroxypropyl)-3-propylurea
SMILESCCCNC(=O)NCC(O)CO
InChIInChI=1S/C7H16N2O3/c1-2-3-8-7(12)9-4-6(11)5-10/h6,10-11H,2-5H2,1H3,(H2,8,9,12)
InChIKeyZBINEQHQJYKAOH-UHFFFAOYSA-N
XLogP-0.95
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydroxypropyl)-3-propylurea 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-(2,3-dihydroxypropyl)-3-propylurea?
The IUPAC name of 1-(2,3-dihydroxypropyl)-3-propylurea (CID 66175837) is 1-(2,3-dihydroxypropyl)-3-propylurea.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-3-propylurea?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-3-propylurea is CCCNC(=O)NCC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-3-propylurea?
The InChIKey is ZBINEQHQJYKAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-2-3-8-7(12)9-4-6(11)5-10/h6,10-11H,2-5H2,1H3,(H2,8,9,12).
What are the key properties of 1-(2,3-dihydroxypropyl)-3-propylurea?
1-(2,3-dihydroxypropyl)-3-propylurea has a molecular weight of 176.22 g/mol, XLogP of -0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-3-propylurea is sourced from PubChem (CID 66175837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).