1,1-bis(2-hydroxyethyl)-3,3-dimethylurea

C7H16N2O3 — CID 11644012

IUPAC1,1-bis(2-hydroxyethyl)-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCO)CCO
InChIInChI=1S/C7H16N2O3/c1-8(2)7(12)9(3-5-10)4-6-11/h10-11H,3-6H2,1-2H3
InChIKeyOSPRSYHXEUOSQA-UHFFFAOYSA-N
MW176.22 g/mol
LogP-1.05
Rot. Bonds4

About 1,1-bis(2-hydroxyethyl)-3,3-dimethylurea

1,1-bis(2-hydroxyethyl)-3,3-dimethylurea (PubChem CID 11644012) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3,3-dimethylurea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3,3-dimethylurea
PubChem CID11644012
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name1,1-bis(2-hydroxyethyl)-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCO)CCO
InChIInChI=1S/C7H16N2O3/c1-8(2)7(12)9(3-5-10)4-6-11/h10-11H,3-6H2,1-2H3
InChIKeyOSPRSYHXEUOSQA-UHFFFAOYSA-N
XLogP-1.05
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Bis-(2-Hydroxyethyl)urea
CID 98687
2-Imidazolidinone, 1-(2-hydroxyethyl)-3-methyl-
CID 11298035
Ethyl-2-hydroxyethylurea
CID 23283746
Carbaminoyl-choline chloride
CID 87119763
1-(2,2-Difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea
CID 107479074
1-(2,2-Difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea
CID 107479077
1-(2,2-Difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea
CID 107479087
1,1-Diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 107479095
1-Ethyl-3-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 107479098
N,N-Bis(2-hydroxyethyl)-N'-methylurea
CID 349914
Urea, tetrakis(2-hydroxyethyl)-
CID 11536002
Urea, N,N-bis(2-hydroxyethyl)-N',N'-bis(2-hydroxypropyl)-
CID 11536274

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3,3-dimethylurea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3,3-dimethylurea (CID 11644012) is 1,1-bis(2-hydroxyethyl)-3,3-dimethylurea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3,3-dimethylurea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3,3-dimethylurea is CN(C)C(=O)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3,3-dimethylurea?
The InChIKey is OSPRSYHXEUOSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-8(2)7(12)9(3-5-10)4-6-11/h10-11H,3-6H2,1-2H3.
What are the key properties of 1,1-bis(2-hydroxyethyl)-3,3-dimethylurea?
1,1-bis(2-hydroxyethyl)-3,3-dimethylurea has a molecular weight of 176.22 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-hydroxyethyl)-3,3-dimethylurea is sourced from PubChem (CID 11644012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).