1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea

C11H20N2O2 — CID 108913103

IUPAC1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea
SMILESCCC(C)NC(=O)NC=C1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-3-9(2)13-11(14)12-8-10-4-6-15-7-5-10/h8-9H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyDRXHEFHIAGPDID-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.78
Rot. Bonds3

About 1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea

1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913103) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913103
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea
SMILESCCC(C)NC(=O)NC=C1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-3-9(2)13-11(14)12-8-10-4-6-15-7-5-10/h8-9H,3-7H2,1-2H3,(H2,12,13,14)
InChIKeyDRXHEFHIAGPDID-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea (CID 108913103) is 1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea is CCC(C)NC(=O)NC=C1CCOCC1.
What is the InChIKey of 1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is DRXHEFHIAGPDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-9(2)13-11(14)12-8-10-4-6-15-7-5-10/h8-9H,3-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea?
1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 212.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).