1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea

C11H24N2O5 — CID 16722254

IUPAC1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea
SMILESCC(O)CN(CCO)C(=O)N(CCO)CC(C)O
InChIInChI=1S/C11H24N2O5/c1-9(16)7-12(3-5-14)11(18)13(4-6-15)8-10(2)17/h9-10,14-17H,3-8H2,1-2H3
InChIKeyYHXPYQKUCNFEAC-UHFFFAOYSA-N
MW264.32 g/mol
LogP-1.54
Rot. Bonds8

About 1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea

1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea (PubChem CID 16722254) has the molecular formula C11H24N2O5 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea
PubChem CID16722254
Molecular FormulaC11H24N2O5
Molecular Weight264.32 g/mol
Exact Mass264.17
IUPAC Name1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea
SMILESCC(O)CN(CCO)C(=O)N(CCO)CC(C)O
InChIInChI=1S/C11H24N2O5/c1-9(16)7-12(3-5-14)11(18)13(4-6-15)8-10(2)17/h9-10,14-17H,3-8H2,1-2H3
InChIKeyYHXPYQKUCNFEAC-UHFFFAOYSA-N
XLogP-1.54
TPSA104.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(2-hydroxypropyl)-
CID 11120211
1-[[[[Bis(2-hydroxypropyl)amino]methyl-(2-hydroxypropyl)amino]methyl-(2-hydroxypropyl)amino]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 170848791
Urea, tetrakis(2-hydroxyethyl)-
CID 11536002
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',N'-dimethyl-
CID 11644012
Urea, N,N-bis(2-hydroxypropyl)-
CID 11693984
1-Diethylcarbamyl-3-hydroxy pyrrolidine
CID 12374091
N-(2-hydroxyethyl)-N-methyl-1-pyrrolidinecarboxamide
CID 15078442
1-[1-(Diethylamino)propyl-ethylamino]propan-2-ol
CID 17853710
1-[1-(Diethylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 17853715
1-[1-(Dimethylamino)propyl-methylamino]propan-2-ol
CID 17853719

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea?
The IUPAC name of 1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea (CID 16722254) is 1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea.
What is the SMILES notation for 1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea?
The canonical SMILES for 1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea is CC(O)CN(CCO)C(=O)N(CCO)CC(C)O.
What is the InChIKey of 1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea?
The InChIKey is YHXPYQKUCNFEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O5/c1-9(16)7-12(3-5-14)11(18)13(4-6-15)8-10(2)17/h9-10,14-17H,3-8H2,1-2H3.
What are the key properties of 1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea?
1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea has a molecular weight of 264.32 g/mol, XLogP of -1.54, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethyl)-1,3-bis(2-hydroxypropyl)urea is sourced from PubChem (CID 16722254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).