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

C15H20N2O2 — CID 108913217

IUPAC1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCCc1ccc(NC(=O)NC=C2CCOCC2)cc1
InChIInChI=1S/C15H20N2O2/c1-2-12-3-5-14(6-4-12)17-15(18)16-11-13-7-9-19-10-8-13/h3-6,11H,2,7-10H2,1H3,(H2,16,17,18)
InChIKeyZTFANCKTNJRVGX-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.06
Rot. Bonds3

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

1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913217) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913217
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCCc1ccc(NC(=O)NC=C2CCOCC2)cc1
InChIInChI=1S/C15H20N2O2/c1-2-12-3-5-14(6-4-12)17-15(18)16-11-13-7-9-19-10-8-13/h3-6,11H,2,7-10H2,1H3,(H2,16,17,18)
InChIKeyZTFANCKTNJRVGX-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid
CID 108913213
methyl 4-(oxan-4-ylidenemethylcarbamoylamino)benzoate
CID 108913270
2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid
CID 108912522
1-(4-ethylphenyl)-3-methylurea
CID 54250791
1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea
CID 108913432
1-[(E)-2-cyclopropylprop-1-enyl]-3-(4-ethylphenyl)urea
CID 108915455
1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea
CID 108912362
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(oxan-4-ylidenemethyl)-3-propan-2-ylurea
CID 108913090
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea (CID 108913217) is 1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea is CCc1ccc(NC(=O)NC=C2CCOCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is ZTFANCKTNJRVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-12-3-5-14(6-4-12)17-15(18)16-11-13-7-9-19-10-8-13/h3-6,11H,2,7-10H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea?
1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 260.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).