1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea

C14H20N2O4 — CID 47194992

IUPAC1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H20N2O4/c1-18-10-5-6-13(19-2)12(8-10)16-14(17)15-9-11-4-3-7-20-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16,17)
InChIKeyZJOGAROASFQPCX-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.00
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea

1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 47194992) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
PubChem CID47194992
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H20N2O4/c1-18-10-5-6-13(19-2)12(8-10)16-14(17)15-9-11-4-3-7-20-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16,17)
InChIKeyZJOGAROASFQPCX-UHFFFAOYSA-N
XLogP2.00
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 71883148
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47196268
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-(oxolan-2-ylmethyl)urea
CID 91812706
N-(2,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185219
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813901
1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843
1-(2,5-dimethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methyl]guanidine
CID 122097343
1-(2,5-dimethoxyphenyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111022958
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea (CID 47194992) is 1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea is COc1ccc(OC)c(NC(=O)NCC2CCCO2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is ZJOGAROASFQPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-18-10-5-6-13(19-2)12(8-10)16-14(17)15-9-11-4-3-7-20-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea?
1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 280.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 47194992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).