1-tert-butyl-3-(oxan-4-ylidenemethyl)urea

C11H20N2O2 — CID 108913112

IUPAC1-tert-butyl-3-(oxan-4-ylidenemethyl)urea
SMILESCC(C)(C)NC(=O)NC=C1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)13-10(14)12-8-9-4-6-15-7-5-9/h8H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyOUMYMFBGHVLELF-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.78
Rot. Bonds1

About 1-tert-butyl-3-(oxan-4-ylidenemethyl)urea

1-tert-butyl-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913112) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-tert-butyl-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913112
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-tert-butyl-3-(oxan-4-ylidenemethyl)urea
SMILESCC(C)(C)NC(=O)NC=C1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-11(2,3)13-10(14)12-8-9-4-6-15-7-5-9/h8H,4-7H2,1-3H3,(H2,12,13,14)
InChIKeyOUMYMFBGHVLELF-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-(oxan-4-ylidenemethyl)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-(Oxan-4-ylidenemethyl)-3-propylurea
CID 108913065
1-(Oxan-4-ylidenemethyl)-3-propan-2-ylurea
CID 108913090
1-Cyclohexyl-3-(oxan-4-ylidenemethyl)urea
CID 108913095
1-(2-Methylpropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913099
1-(2-Methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913100
1-Butyl-3-(oxan-4-ylidenemethyl)urea
CID 108913101
1-(3-Ethoxypropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913102
1-Butan-2-yl-3-(oxan-4-ylidenemethyl)urea
CID 108913103
1-Cyclopentyl-3-(oxan-4-ylidenemethyl)urea
CID 108913106
1-(3-Methoxypropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913109
1-(3-Butoxypropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913110
3-(Oxan-4-ylidenemethyl)-1,1-bis(prop-2-enyl)urea
CID 108913175

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-tert-butyl-3-(oxan-4-ylidenemethyl)urea (CID 108913112) is 1-tert-butyl-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-tert-butyl-3-(oxan-4-ylidenemethyl)urea is CC(C)(C)NC(=O)NC=C1CCOCC1.
What is the InChIKey of 1-tert-butyl-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is OUMYMFBGHVLELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)13-10(14)12-8-9-4-6-15-7-5-9/h8H,4-7H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-tert-butyl-3-(oxan-4-ylidenemethyl)urea?
1-tert-butyl-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 212.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).