1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea

C13H24N2O4 — CID 108913275

IUPAC1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCOCCN(CCOC)C(=O)NC=C1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-17-9-5-15(6-10-18-2)13(16)14-11-12-3-7-19-8-4-12/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyQVKNOZOGEPDNAD-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.99
Rot. Bonds7

About 1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea

1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913275) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913275
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCOCCN(CCOC)C(=O)NC=C1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-17-9-5-15(6-10-18-2)13(16)14-11-12-3-7-19-8-4-12/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyQVKNOZOGEPDNAD-UHFFFAOYSA-N
XLogP0.99
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylprop-1-enyl)morpholine-4-carboxamide
CID 108909830
3-(Cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea
CID 108912584
1-(Oxan-4-ylidenemethyl)-3-propylurea
CID 108913065
1-(Oxan-4-ylidenemethyl)-3-propan-2-ylurea
CID 108913090
2,6-dimethyl-N-(oxan-4-ylidenemethyl)morpholine-4-carboxamide
CID 108913093
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-(3-Methoxypropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913109
1-(3-Butoxypropyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913110
1-Tert-butyl-3-(oxan-4-ylidenemethyl)urea
CID 108913112

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea (CID 108913275) is 1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea is COCCN(CCOC)C(=O)NC=C1CCOCC1.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is QVKNOZOGEPDNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-17-9-5-15(6-10-18-2)13(16)14-11-12-3-7-19-8-4-12/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea?
1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 272.34 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).