1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea

C16H24N2O3 — CID 108914314

IUPAC1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
SMILESCCOc1ccc(NC(=O)N/C=C(\C)CC)cc1OCC
InChIInChI=1S/C16H24N2O3/c1-5-12(4)11-17-16(19)18-13-8-9-14(20-6-2)15(10-13)21-7-3/h8-11H,5-7H2,1-4H3,(H2,17,18,19)/b12-11+
InChIKeyIYKJKXCHSQBBGK-VAWYXSNFSA-N
MW292.38 g/mol
LogP3.92
Rot. Bonds7

About 1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea

1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea (PubChem CID 108914314) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
PubChem CID108914314
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
SMILESCCOc1ccc(NC(=O)N/C=C(\C)CC)cc1OCC
InChIInChI=1S/C16H24N2O3/c1-5-12(4)11-17-16(19)18-13-8-9-14(20-6-2)15(10-13)21-7-3/h8-11H,5-7H2,1-4H3,(H2,17,18,19)/b12-11+
InChIKeyIYKJKXCHSQBBGK-VAWYXSNFSA-N
XLogP3.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-diethoxyphenyl)-3-ethenylurea
CID 108909159
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
CID 18072393
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
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
1-[(E)-2-methylbut-1-enyl]-3-(4-sulfamoylphenyl)urea
CID 108914242
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-[(E)-2-methylbut-1-enyl]urea?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea (CID 108914314) is 1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea is CCOc1ccc(NC(=O)N/C=C(\C)CC)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea?
The InChIKey is IYKJKXCHSQBBGK-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-12(4)11-17-16(19)18-13-8-9-14(20-6-2)15(10-13)21-7-3/h8-11H,5-7H2,1-4H3,(H2,17,18,19)/b12-11+.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea?
1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea has a molecular weight of 292.38 g/mol, XLogP of 3.92, 7 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-[(E)-2-methylbut-1-enyl]urea is sourced from PubChem (CID 108914314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).