1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea

C16H22N2O2 — CID 79357454

IUPAC1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea
SMILESCC(=O)c1cccc(NC(=O)NC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C16H22N2O2/c1-10(19)11-7-6-8-12(9-11)17-14(20)18-13-15(2,3)16(13,4)5/h6-9,13H,1-5H3,(H2,17,18,20)
InChIKeyLFBZTQHODCZITC-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.45
Rot. Bonds3

About 1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea

1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea (PubChem CID 79357454) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea
PubChem CID79357454
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea
SMILESCC(=O)c1cccc(NC(=O)NC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C16H22N2O2/c1-10(19)11-7-6-8-12(9-11)17-14(20)18-13-15(2,3)16(13,4)5/h6-9,13H,1-5H3,(H2,17,18,20)
InChIKeyLFBZTQHODCZITC-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476131
1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
CID 79832263
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzoic acid
CID 102823152
1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea
CID 60609638
N-(3-acetylphenyl)propanamide
CID 903063
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886351
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea (CID 79357454) is 1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea is CC(=O)c1cccc(NC(=O)NC2C(C)(C)C2(C)C)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea?
The InChIKey is LFBZTQHODCZITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(19)11-7-6-8-12(9-11)17-14(20)18-13-15(2,3)16(13,4)5/h6-9,13H,1-5H3,(H2,17,18,20).
What are the key properties of 1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea?
1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea has a molecular weight of 274.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea is sourced from PubChem (CID 79357454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).