1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea

C15H22N2O — CID 47322167

IUPAC1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCCC2)c(C)c1
InChIInChI=1S/C15H22N2O/c1-11-7-8-13(12(2)9-11)10-16-15(18)17-14-5-3-4-6-14/h7-9,14H,3-6,10H2,1-2H3,(H2,16,17,18)
InChIKeyAWSFLZPPZBCCHT-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.05
Rot. Bonds3

About 1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea

1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea (PubChem CID 47322167) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
PubChem CID47322167
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCCC2)c(C)c1
InChIInChI=1S/C15H22N2O/c1-11-7-8-13(12(2)9-11)10-16-15(18)17-14-5-3-4-6-14/h7-9,14H,3-6,10H2,1-2H3,(H2,16,17,18)
InChIKeyAWSFLZPPZBCCHT-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
1-cyclohexyl-3-[(2,4-dimethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110957079
1-cyclohexyl-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 114699395
1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110662673
1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea
CID 110774921
2-(cyclohexylcarbamoylamino)-N-(2,4-dimethylphenyl)acetamide
CID 112996389
1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324549
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
4-[(4-bromo-2-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001618
2-(2-amino-4-methylphenyl)-N-cyclopentylacetamide
CID 99991566
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
1-[(2-methyl-4-propoxyphenyl)methyl]-3-[(4R)-oxepan-4-yl]urea
CID 99833443

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea (CID 47322167) is 1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea is Cc1ccc(CNC(=O)NC2CCCC2)c(C)c1.
What is the InChIKey of 1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea?
The InChIKey is AWSFLZPPZBCCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-7-8-13(12(2)9-11)10-16-15(18)17-14-5-3-4-6-14/h7-9,14H,3-6,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea?
1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea has a molecular weight of 246.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea is sourced from PubChem (CID 47322167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).