1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea

C16H22N2O3 — CID 108913115

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
SMILESCOc1ccc(CCNC(=O)NC=C2CCOCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-20-15-4-2-13(3-5-15)6-9-17-16(19)18-12-14-7-10-21-11-8-14/h2-5,12H,6-11H2,1H3,(H2,17,18,19)
InChIKeyOWFFSRDFEKTTTG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.23
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea

1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913115) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913115
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
SMILESCOc1ccc(CCNC(=O)NC=C2CCOCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-20-15-4-2-13(3-5-15)6-9-17-16(19)18-12-14-7-10-21-11-8-14/h2-5,12H,6-11H2,1H3,(H2,17,18,19)
InChIKeyOWFFSRDFEKTTTG-UHFFFAOYSA-N
XLogP2.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913229
1-[(E)-2-cyclopentylethenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108911678
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912711
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910187
1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912710
1-[2-(4-methoxyphenyl)ethyl]-3-[(4-morpholin-4-ylthian-4-yl)methyl]urea
CID 139029271
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108907884
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea (CID 108913115) is 1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea is COc1ccc(CCNC(=O)NC=C2CCOCC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is OWFFSRDFEKTTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-15-4-2-13(3-5-15)6-9-17-16(19)18-12-14-7-10-21-11-8-14/h2-5,12H,6-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea?
1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 290.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).