(2-hydroxy-3-propoxypropyl)urea

C7H16N2O3 — CID 88809008

IUPAC(2-hydroxy-3-propoxypropyl)urea
SMILESCCCOCC(O)CNC(N)=O
InChIInChI=1S/C7H16N2O3/c1-2-3-12-5-6(10)4-9-7(8)11/h6,10H,2-5H2,1H3,(H3,8,9,11)
InChIKeyDOPVENKRGDRICT-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.56
Rot. Bonds6

About (2-hydroxy-3-propoxypropyl)urea

(2-hydroxy-3-propoxypropyl)urea (PubChem CID 88809008) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2-hydroxy-3-propoxypropyl)urea.

Molecular Properties

Compound Name(2-hydroxy-3-propoxypropyl)urea
PubChem CID88809008
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name(2-hydroxy-3-propoxypropyl)urea
SMILESCCCOCC(O)CNC(N)=O
InChIInChI=1S/C7H16N2O3/c1-2-3-12-5-6(10)4-9-7(8)11/h6,10H,2-5H2,1H3,(H3,8,9,11)
InChIKeyDOPVENKRGDRICT-UHFFFAOYSA-N
XLogP-0.56
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
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 (2-hydroxy-3-propoxypropyl)urea?
The IUPAC name of (2-hydroxy-3-propoxypropyl)urea (CID 88809008) is (2-hydroxy-3-propoxypropyl)urea.
What is the SMILES notation for (2-hydroxy-3-propoxypropyl)urea?
The canonical SMILES for (2-hydroxy-3-propoxypropyl)urea is CCCOCC(O)CNC(N)=O.
What is the InChIKey of (2-hydroxy-3-propoxypropyl)urea?
The InChIKey is DOPVENKRGDRICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-2-3-12-5-6(10)4-9-7(8)11/h6,10H,2-5H2,1H3,(H3,8,9,11).
What are the key properties of (2-hydroxy-3-propoxypropyl)urea?
(2-hydroxy-3-propoxypropyl)urea has a molecular weight of 176.22 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-propoxypropyl)urea is sourced from PubChem (CID 88809008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).