1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea

C15H20N2O2 — CID 108913188

IUPAC1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea
SMILESCCN(C(=O)NC=C1CCOCC1)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-2-17(14-6-4-3-5-7-14)15(18)16-12-13-8-10-19-11-9-13/h3-7,12H,2,8-11H2,1H3,(H,16,18)
InChIKeyOIXMMHZIEBOLAE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.92
Rot. Bonds3

About 1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea

1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea (PubChem CID 108913188) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea.

Molecular Properties

Compound Name1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea
PubChem CID108913188
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea
SMILESCCN(C(=O)NC=C1CCOCC1)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-2-17(14-6-4-3-5-7-14)15(18)16-12-13-8-10-19-11-9-13/h3-7,12H,2,8-11H2,1H3,(H,16,18)
InChIKeyOIXMMHZIEBOLAE-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-bis(2-methoxyethyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913275
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240338
N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide
CID 108944050
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
3-cyclohexyl-1-ethyl-1-phenylurea
CID 17371090
1-ethyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-phenylurea
CID 108906183
2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312370
1-ethyl-1-phenyl-3-[2-(trifluoromethyl)phenyl]urea
CID 108887668
3-[[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670102

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea?
The IUPAC name of 1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea (CID 108913188) is 1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea.
What is the SMILES notation for 1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea?
The canonical SMILES for 1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea is CCN(C(=O)NC=C1CCOCC1)c1ccccc1.
What is the InChIKey of 1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea?
The InChIKey is OIXMMHZIEBOLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-17(14-6-4-3-5-7-14)15(18)16-12-13-8-10-19-11-9-13/h3-7,12H,2,8-11H2,1H3,(H,16,18).
What are the key properties of 1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea?
1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea has a molecular weight of 260.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(oxan-4-ylidenemethyl)-1-phenylurea is sourced from PubChem (CID 108913188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).