1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea

C11H24N2O2 — CID 65113623

IUPAC1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)NC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-6-11(15,7-2)8-12-9(14)13-10(3,4)5/h15H,6-8H2,1-5H3,(H2,12,13,14)
InChIKeyOJNPRBSVBCASSQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.64
Rot. Bonds4

About 1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea

1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea (PubChem CID 65113623) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea
PubChem CID65113623
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea
SMILESCCC(O)(CC)CNC(=O)NC(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-6-11(15,7-2)8-12-9(14)13-10(3,4)5/h15H,6-8H2,1-5H3,(H2,12,13,14)
InChIKeyOJNPRBSVBCASSQ-UHFFFAOYSA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-2-ethylbutyl)-3-tert-butylurea
CID 115305870
1-butyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 62068260
1-tert-butyl-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 115695158
(Z)-N-(2-ethyl-2-hydroxybutyl)-3,4,4-trimethylpent-2-enamide
CID 111485934
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65105640
1-(2-tert-butylpyrimidin-5-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111103718
1-tert-butyl-3-hexylurea
CID 115571487
1-(2-ethyl-2-hydroxybutyl)-3-[(2-ethylphenyl)methyl]urea
CID 111455827
2-(1-aminocyclopentyl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106412
4-(3-ethylpentan-3-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003041

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea?
The IUPAC name of 1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea (CID 65113623) is 1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea?
The canonical SMILES for 1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea is CCC(O)(CC)CNC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea?
The InChIKey is OJNPRBSVBCASSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-6-11(15,7-2)8-12-9(14)13-10(3,4)5/h15H,6-8H2,1-5H3,(H2,12,13,14).
What are the key properties of 1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea?
1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea has a molecular weight of 216.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea is sourced from PubChem (CID 65113623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).