3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea

C18H28N2O — CID 87007292

IUPAC3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)NCCCC1CCCC1
InChIInChI=1S/C18H28N2O/c1-20(15-13-17-8-3-2-4-9-17)18(21)19-14-7-12-16-10-5-6-11-16/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,19,21)
InChIKeySKLOPPQDMYGSNQ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.84
Rot. Bonds7

About 3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea

3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea (PubChem CID 87007292) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
PubChem CID87007292
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
SMILESCN(CCc1ccccc1)C(=O)NCCCC1CCCC1
InChIInChI=1S/C18H28N2O/c1-20(15-13-17-8-3-2-4-9-17)18(21)19-14-7-12-16-10-5-6-11-16/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,19,21)
InChIKeySKLOPPQDMYGSNQ-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 55570048
3-(3-cyclopentylpropyl)-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 55575637
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
CID 54329594
1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583935
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid
CID 122022295
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
4-[[[2-cyclohexylethyl(methyl)carbamoyl]amino]methyl]benzoic acid
CID 122019621
3-[4-(4-benzylpiperidin-1-yl)butylcarbamoyl-methylamino]propanoic acid
CID 122001518
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea?
The IUPAC name of 3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea (CID 87007292) is 3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea.
What is the SMILES notation for 3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea?
The canonical SMILES for 3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea is CN(CCc1ccccc1)C(=O)NCCCC1CCCC1.
What is the InChIKey of 3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea?
The InChIKey is SKLOPPQDMYGSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(15-13-17-8-3-2-4-9-17)18(21)19-14-7-12-16-10-5-6-11-16/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,19,21).
What are the key properties of 3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea?
3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea has a molecular weight of 288.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea is sourced from PubChem (CID 87007292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).