1,3-bis(3-hydroxypropyl)urea

C7H16N2O3 — CID 11658371

IUPAC1,3-bis(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NCCCO
InChIInChI=1S/C7H16N2O3/c10-5-1-3-8-7(12)9-4-2-6-11/h10-11H,1-6H2,(H2,8,9,12)
InChIKeyHUEPEXWUAVEESY-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.95
Rot. Bonds6

About 1,3-bis(3-hydroxypropyl)urea

1,3-bis(3-hydroxypropyl)urea (PubChem CID 11658371) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,3-bis(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1,3-bis(3-hydroxypropyl)urea
PubChem CID11658371
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name1,3-bis(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NCCCO
InChIInChI=1S/C7H16N2O3/c10-5-1-3-8-7(12)9-4-2-6-11/h10-11H,1-6H2,(H2,8,9,12)
InChIKeyHUEPEXWUAVEESY-UHFFFAOYSA-N
XLogP-0.95
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-hydroxypropyl)urea?
The IUPAC name of 1,3-bis(3-hydroxypropyl)urea (CID 11658371) is 1,3-bis(3-hydroxypropyl)urea.
What is the SMILES notation for 1,3-bis(3-hydroxypropyl)urea?
The canonical SMILES for 1,3-bis(3-hydroxypropyl)urea is O=C(NCCCO)NCCCO.
What is the InChIKey of 1,3-bis(3-hydroxypropyl)urea?
The InChIKey is HUEPEXWUAVEESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c10-5-1-3-8-7(12)9-4-2-6-11/h10-11H,1-6H2,(H2,8,9,12).
What are the key properties of 1,3-bis(3-hydroxypropyl)urea?
1,3-bis(3-hydroxypropyl)urea has a molecular weight of 176.22 g/mol, XLogP of -0.95, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-hydroxypropyl)urea is sourced from PubChem (CID 11658371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).