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

C11H24N2O5 — CID 11536274

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

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

1,1-bis(2-hydroxyethyl)-3,3-bis(2-hydroxypropyl)urea (PubChem CID 11536274) has the molecular formula C11H24N2O5 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3,3-bis(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3,3-bis(2-hydroxypropyl)urea
PubChem CID11536274
Molecular FormulaC11H24N2O5
Molecular Weight264.32 g/mol
Exact Mass264.17
IUPAC Name1,1-bis(2-hydroxyethyl)-3,3-bis(2-hydroxypropyl)urea
SMILESCC(O)CN(CC(C)O)C(=O)N(CCO)CCO
InChIInChI=1S/C11H24N2O5/c1-9(16)7-13(8-10(2)17)11(18)12(3-5-14)4-6-15/h9-10,14-17H,3-8H2,1-2H3
InChIKeyBTDCHHCTLGRQGF-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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3,3-bis(2-hydroxypropyl)urea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3,3-bis(2-hydroxypropyl)urea (CID 11536274) is 1,1-bis(2-hydroxyethyl)-3,3-bis(2-hydroxypropyl)urea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3,3-bis(2-hydroxypropyl)urea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3,3-bis(2-hydroxypropyl)urea is CC(O)CN(CC(C)O)C(=O)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3,3-bis(2-hydroxypropyl)urea?
The InChIKey is BTDCHHCTLGRQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O5/c1-9(16)7-13(8-10(2)17)11(18)12(3-5-14)4-6-15/h9-10,14-17H,3-8H2,1-2H3.
What are the key properties of 1,1-bis(2-hydroxyethyl)-3,3-bis(2-hydroxypropyl)urea?
1,1-bis(2-hydroxyethyl)-3,3-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 1,1-bis(2-hydroxyethyl)-3,3-bis(2-hydroxypropyl)urea is sourced from PubChem (CID 11536274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).