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

C11H20N2O2 — CID 108913101

IUPAC1-butyl-3-(oxan-4-ylidenemethyl)urea
SMILESCCCCNC(=O)NC=C1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-2-3-6-12-11(14)13-9-10-4-7-15-8-5-10/h9H,2-8H2,1H3,(H2,12,13,14)
InChIKeyXAWCAMQSYMPIOX-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.78
Rot. Bonds4

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

1-butyl-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913101) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-butyl-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-butyl-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913101
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-butyl-3-(oxan-4-ylidenemethyl)urea
SMILESCCCCNC(=O)NC=C1CCOCC1
InChIInChI=1S/C11H20N2O2/c1-2-3-6-12-11(14)13-9-10-4-7-15-8-5-10/h9H,2-8H2,1H3,(H2,12,13,14)
InChIKeyXAWCAMQSYMPIOX-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Cyclohexylidenemethyl)-3-(3-ethoxypropyl)urea
CID 108912411
1-(3-Butoxypropyl)-3-(cyclohexylidenemethyl)urea
CID 108912419
1-(Oxan-4-ylidenemethyl)-3-propylurea
CID 108913065
1-(Oxan-4-ylidenemethyl)-3-propan-2-ylurea
CID 108913090
1-Cyclohexyl-1-methyl-3-(oxan-4-ylidenemethyl)urea
CID 108913092
1-Cyclohexyl-3-(oxan-4-ylidenemethyl)urea
CID 108913095
4-methyl-N-(oxan-4-ylidenemethyl)piperidine-1-carboxamide
CID 108913096
1-(2-Methylpropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913099
1-(2-Methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913100
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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-butyl-3-(oxan-4-ylidenemethyl)urea (CID 108913101) is 1-butyl-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-butyl-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-butyl-3-(oxan-4-ylidenemethyl)urea is CCCCNC(=O)NC=C1CCOCC1.
What is the InChIKey of 1-butyl-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is XAWCAMQSYMPIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-6-12-11(14)13-9-10-4-7-15-8-5-10/h9H,2-8H2,1H3,(H2,12,13,14).
What are the key properties of 1-butyl-3-(oxan-4-ylidenemethyl)urea?
1-butyl-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 212.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).