1,1-bis(2-hydroxypropyl)urea

C7H16N2O3 — CID 11693984

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

About 1,1-bis(2-hydroxypropyl)urea

1,1-bis(2-hydroxypropyl)urea (PubChem CID 11693984) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,1-bis(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxypropyl)urea
PubChem CID11693984
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name1,1-bis(2-hydroxypropyl)urea
SMILESCC(O)CN(CC(C)O)C(N)=O
InChIInChI=1S/C7H16N2O3/c1-5(10)3-9(7(8)12)4-6(2)11/h5-6,10-11H,3-4H2,1-2H3,(H2,8,12)
InChIKeyZGLXBKOIZOVYND-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

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Related Compounds

N,N-Bis-(2-Hydroxyethyl)urea
CID 98687
3-Hydroxyazetidine-1-carboxamide
CID 22243070
N-(2-Hydroxypropyl)urea
CID 11528340
Ethyl-2-hydroxyethylurea
CID 23283746
Urea, N,N'-bis(2-hydroxypropyl)-
CID 11229093
1-(2-Hydroxypropyl)-1,3-diisopropylurea
CID 72100949
Urea, N,N-bis(2-hydroxyethyl)-N',N'-bis(2-hydroxypropyl)-
CID 11536274
Urea, N'-(2-hydroxyethyl)-N,N-bis(2-hydroxypropyl)-
CID 11550311
Urea, N,N-bis(2-hydroxyethyl)-N'-propyl-
CID 11615318
Urea, N'-(1,1-dimethylethyl)-N-(2-hydroxyethyl)-N-(2-hydroxypropyl)-
CID 11694233
1-(2-Hydroxypropyl)-3-propylurea
CID 12876542
1-(2-Hydroxyethyl)-1-methyl-3-propylurea
CID 13181630

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxypropyl)urea?
The IUPAC name of 1,1-bis(2-hydroxypropyl)urea (CID 11693984) is 1,1-bis(2-hydroxypropyl)urea.
What is the SMILES notation for 1,1-bis(2-hydroxypropyl)urea?
The canonical SMILES for 1,1-bis(2-hydroxypropyl)urea is CC(O)CN(CC(C)O)C(N)=O.
What is the InChIKey of 1,1-bis(2-hydroxypropyl)urea?
The InChIKey is ZGLXBKOIZOVYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-5(10)3-9(7(8)12)4-6(2)11/h5-6,10-11H,3-4H2,1-2H3,(H2,8,12).
What are the key properties of 1,1-bis(2-hydroxypropyl)urea?
1,1-bis(2-hydroxypropyl)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(2-hydroxypropyl)urea is sourced from PubChem (CID 11693984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).