1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea

C15H20N2O2 — CID 108911352

IUPAC1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
SMILESCC(=O)c1ccc(NC(=O)N/C=C/C(C)(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-11(18)12-5-7-13(8-6-12)17-14(19)16-10-9-15(2,3)4/h5-10H,1-4H3,(H2,16,17,19)/b10-9+
InChIKeyXXYHPIWEILXKON-MDZDMXLPSA-N
MW260.34 g/mol
LogP3.57
Rot. Bonds3

About 1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea

1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea (PubChem CID 108911352) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
PubChem CID108911352
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
SMILESCC(=O)c1ccc(NC(=O)N/C=C/C(C)(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-11(18)12-5-7-13(8-6-12)17-14(19)16-10-9-15(2,3)4/h5-10H,1-4H3,(H2,16,17,19)/b10-9+
InChIKeyXXYHPIWEILXKON-MDZDMXLPSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911457
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
CID 108911462
1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea
CID 108908760
1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905411
1-[4-(prop-2-enylamino)phenyl]ethanone
CID 21163521
4-(ethenylcarbamoylamino)benzoic acid
CID 76851362
1-(2,6-dichlorophenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911530
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
N-(4-acetylphenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 113158573
1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911333
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea (CID 108911352) is 1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea is CC(=O)c1ccc(NC(=O)N/C=C/C(C)(C)C)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The InChIKey is XXYHPIWEILXKON-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(18)12-5-7-13(8-6-12)17-14(19)16-10-9-15(2,3)4/h5-10H,1-4H3,(H2,16,17,19)/b10-9+.
What are the key properties of 1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea?
1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea has a molecular weight of 260.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea is sourced from PubChem (CID 108911352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).