1-(3,4-diethoxyphenyl)-3-ethenylurea

C13H18N2O3 — CID 108909159

IUPAC1-(3,4-diethoxyphenyl)-3-ethenylurea
SMILESC=CNC(=O)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C13H18N2O3/c1-4-14-13(16)15-10-7-8-11(17-5-2)12(9-10)18-6-3/h4,7-9H,1,5-6H2,2-3H3,(H2,14,15,16)
InChIKeyIBHZMXSOKFYZOF-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.75
Rot. Bonds6

About 1-(3,4-diethoxyphenyl)-3-ethenylurea

1-(3,4-diethoxyphenyl)-3-ethenylurea (PubChem CID 108909159) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-ethenylurea.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-ethenylurea
PubChem CID108909159
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(3,4-diethoxyphenyl)-3-ethenylurea
SMILESC=CNC(=O)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C13H18N2O3/c1-4-14-13(16)15-10-7-8-11(17-5-2)12(9-10)18-6-3/h4,7-9H,1,5-6H2,2-3H3,(H2,14,15,16)
InChIKeyIBHZMXSOKFYZOF-UHFFFAOYSA-N
XLogP2.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914314
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
CID 18072393
1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907679
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
CID 61186187
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 2452185

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-ethenylurea?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-ethenylurea (CID 108909159) is 1-(3,4-diethoxyphenyl)-3-ethenylurea.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-ethenylurea?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-ethenylurea is C=CNC(=O)Nc1ccc(OCC)c(OCC)c1.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-ethenylurea?
The InChIKey is IBHZMXSOKFYZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-14-13(16)15-10-7-8-11(17-5-2)12(9-10)18-6-3/h4,7-9H,1,5-6H2,2-3H3,(H2,14,15,16).
What are the key properties of 1-(3,4-diethoxyphenyl)-3-ethenylurea?
1-(3,4-diethoxyphenyl)-3-ethenylurea has a molecular weight of 250.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-ethenylurea is sourced from PubChem (CID 108909159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).