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

C16H22N2O2 — CID 79832263

IUPAC1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
SMILESCC(=O)c1cccc(NC(=O)NC2CCCC2(C)C)c1
InChIInChI=1S/C16H22N2O2/c1-11(19)12-6-4-7-13(10-12)17-15(20)18-14-8-5-9-16(14,2)3/h4,6-7,10,14H,5,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyPKKULQGJSKTBNT-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.59
Rot. Bonds3

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

1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea (PubChem CID 79832263) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
PubChem CID79832263
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
SMILESCC(=O)c1cccc(NC(=O)NC2CCCC2(C)C)c1
InChIInChI=1S/C16H22N2O2/c1-11(19)12-6-4-7-13(10-12)17-15(20)18-14-8-5-9-16(14,2)3/h4,6-7,10,14H,5,8-9H2,1-3H3,(H2,17,18,20)
InChIKeyPKKULQGJSKTBNT-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-(3-acetylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)urea
CID 79357454
N-[3-[(2,2-dimethylcyclopentyl)amino]phenyl]acetamide
CID 79864740
2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762508
1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 79872586
3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
CID 79872488
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide
CID 125141651
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476131
1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
CID 71941783

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea (CID 79832263) is 1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea is CC(=O)c1cccc(NC(=O)NC2CCCC2(C)C)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea?
The InChIKey is PKKULQGJSKTBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(19)12-6-4-7-13(10-12)17-15(20)18-14-8-5-9-16(14,2)3/h4,6-7,10,14H,5,8-9H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea?
1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea has a molecular weight of 274.36 g/mol, XLogP of 3.59, 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-dimethylcyclopentyl)urea is sourced from PubChem (CID 79832263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).