3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea

C10H22N2O3 — CID 11694233

IUPAC3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea
SMILESCC(O)CN(CCO)C(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-8(14)7-12(5-6-13)9(15)11-10(2,3)4/h8,13-14H,5-7H2,1-4H3,(H,11,15)
InChIKeyTXDXRHGRYPYKHB-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.17
Rot. Bonds4

About 3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea

3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea (PubChem CID 11694233) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea
PubChem CID11694233
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea
SMILESCC(O)CN(CCO)C(=O)NC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-8(14)7-12(5-6-13)9(15)11-10(2,3)4/h8,13-14H,5-7H2,1-4H3,(H,11,15)
InChIKeyTXDXRHGRYPYKHB-UHFFFAOYSA-N
XLogP0.17
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea?
The IUPAC name of 3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea (CID 11694233) is 3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea.
What is the SMILES notation for 3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea?
The canonical SMILES for 3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea is CC(O)CN(CCO)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea?
The InChIKey is TXDXRHGRYPYKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-8(14)7-12(5-6-13)9(15)11-10(2,3)4/h8,13-14H,5-7H2,1-4H3,(H,11,15).
What are the key properties of 3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea?
3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea has a molecular weight of 218.30 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-hydroxyethyl)-1-(2-hydroxypropyl)urea is sourced from PubChem (CID 11694233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).