3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea

C18H28N2O — CID 55570048

IUPAC3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CN(C)C(=O)NCCCC1CCCC1
InChIInChI=1S/C18H28N2O/c1-15-8-3-6-12-17(15)14-20(2)18(21)19-13-7-11-16-9-4-5-10-16/h3,6,8,12,16H,4-5,7,9-11,13-14H2,1-2H3,(H,19,21)
InChIKeyHEOYZEDFSYQCIO-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.11
Rot. Bonds6

About 3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea

3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea (PubChem CID 55570048) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
PubChem CID55570048
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CN(C)C(=O)NCCCC1CCCC1
InChIInChI=1S/C18H28N2O/c1-15-8-3-6-12-17(15)14-20(2)18(21)19-13-7-11-16-9-4-5-10-16/h3,6,8,12,16H,4-5,7,9-11,13-14H2,1-2H3,(H,19,21)
InChIKeyHEOYZEDFSYQCIO-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.11
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-(trifluoromethyl)phenyl]methyl]urea
CID 55575637
3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
CID 87007292
1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108888695
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817499
N-[2-[[N,N'-dimethyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111286538
2-[2-(aminomethyl)phenyl]-N-(3-cyclopentylpropyl)acetamide
CID 106011679
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
N-(3-cyclopentylpropyl)-3-ethylthiophene-2-carboxamide
CID 55996333
1-[(4-methoxynaphthalen-1-yl)methyl]-1-methyl-3-[3-[(3S)-oxolan-3-yl]propyl]urea
CID 126423041

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The IUPAC name of 3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea (CID 55570048) is 3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea is Cc1ccccc1CN(C)C(=O)NCCCC1CCCC1.
What is the InChIKey of 3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
The InChIKey is HEOYZEDFSYQCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-8-3-6-12-17(15)14-20(2)18(21)19-13-7-11-16-9-4-5-10-16/h3,6,8,12,16H,4-5,7,9-11,13-14H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea?
3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea has a molecular weight of 288.44 g/mol, XLogP of 4.11, 6 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-methylphenyl)methyl]urea is sourced from PubChem (CID 55570048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).