1,1,3-tris(2-hydroxyethyl)-3-methylurea

C8H18N2O4 — CID 19812754

IUPAC1,1,3-tris(2-hydroxyethyl)-3-methylurea
SMILESCN(CCO)C(=O)N(CCO)CCO
InChIInChI=1S/C8H18N2O4/c1-9(2-5-11)8(14)10(3-6-12)4-7-13/h11-13H,2-7H2,1H3
InChIKeyGDOTYFQSQJYNBA-UHFFFAOYSA-N
MW206.24 g/mol
LogP-1.68
Rot. Bonds6

About 1,1,3-tris(2-hydroxyethyl)-3-methylurea

1,1,3-tris(2-hydroxyethyl)-3-methylurea (PubChem CID 19812754) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1,1,3-tris(2-hydroxyethyl)-3-methylurea.

Molecular Properties

Compound Name1,1,3-tris(2-hydroxyethyl)-3-methylurea
PubChem CID19812754
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name1,1,3-tris(2-hydroxyethyl)-3-methylurea
SMILESCN(CCO)C(=O)N(CCO)CCO
InChIInChI=1S/C8H18N2O4/c1-9(2-5-11)8(14)10(3-6-12)4-7-13/h11-13H,2-7H2,1H3
InChIKeyGDOTYFQSQJYNBA-UHFFFAOYSA-N
XLogP-1.68
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl-2-hydroxyethylurea
CID 23283746
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
Urea, tetrakis(2-hydroxyethyl)-
CID 11536002
Urea, N,N-bis(2-hydroxyethyl)-N',N'-bis(2-hydroxypropyl)-
CID 11536274
Urea, N,N-bis(2-hydroxyethyl)-N',N'-dimethyl-
CID 11644012
2,2',2'',2'''-(Methylenedinitrilo)tetra(ethan-1-ol)
CID 15294382
1,3-Bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea
CID 16722254
N-[[acetyl(2-hydroxyethyl)amino]methyl]-N-(2-hydroxyethyl)acetamide
CID 18716355
1,3-Bis(2-hydroxyethyl)-1,3-dimethylurea
CID 19812750

Frequently Asked Questions

What is the IUPAC name of 1,1,3-tris(2-hydroxyethyl)-3-methylurea?
The IUPAC name of 1,1,3-tris(2-hydroxyethyl)-3-methylurea (CID 19812754) is 1,1,3-tris(2-hydroxyethyl)-3-methylurea.
What is the SMILES notation for 1,1,3-tris(2-hydroxyethyl)-3-methylurea?
The canonical SMILES for 1,1,3-tris(2-hydroxyethyl)-3-methylurea is CN(CCO)C(=O)N(CCO)CCO.
What is the InChIKey of 1,1,3-tris(2-hydroxyethyl)-3-methylurea?
The InChIKey is GDOTYFQSQJYNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4/c1-9(2-5-11)8(14)10(3-6-12)4-7-13/h11-13H,2-7H2,1H3.
What are the key properties of 1,1,3-tris(2-hydroxyethyl)-3-methylurea?
1,1,3-tris(2-hydroxyethyl)-3-methylurea has a molecular weight of 206.24 g/mol, XLogP of -1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tris(2-hydroxyethyl)-3-methylurea is sourced from PubChem (CID 19812754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).