1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea

C15H20N2O4 — CID 108913229

IUPAC1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCOc1ccc(NC(=O)NC=C2CCOCC2)c(OC)c1
InChIInChI=1S/C15H20N2O4/c1-19-12-3-4-13(14(9-12)20-2)17-15(18)16-10-11-5-7-21-8-6-11/h3-4,9-10H,5-8H2,1-2H3,(H2,16,17,18)
InChIKeyUGMORKIQDXUGCQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.52
Rot. Bonds4

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

1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913229) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913229
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
SMILESCOc1ccc(NC(=O)NC=C2CCOCC2)c(OC)c1
InChIInChI=1S/C15H20N2O4/c1-19-12-3-4-13(14(9-12)20-2)17-15(18)16-10-11-5-7-21-8-6-11/h3-4,9-10H,5-8H2,1-2H3,(H2,16,17,18)
InChIKeyUGMORKIQDXUGCQ-UHFFFAOYSA-N
XLogP2.52
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911046
1-[(E)-2-cyclohexylethenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108912165
1-[2-(4-methoxyphenyl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913115
1-cyano-3-(2,4-dimethoxyphenyl)urea
CID 20559814
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ium-4-ylpropanamide
CID 4742368
1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea
CID 11988328
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009289
3-(2,4-dimethoxyphenyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 90554843
1-(2,3-dihydro-1H-inden-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 969986
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea (CID 108913229) is 1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea is COc1ccc(NC(=O)NC=C2CCOCC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is UGMORKIQDXUGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-19-12-3-4-13(14(9-12)20-2)17-15(18)16-10-11-5-7-21-8-6-11/h3-4,9-10H,5-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea?
1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 292.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).