1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea

C17H26N2O — CID 55570336

IUPAC1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCCC1CCCC1
InChIInChI=1S/C17H26N2O/c20-17(19-14-12-16-9-4-5-10-16)18-13-6-11-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2,(H2,18,19,20)
InChIKeyVHLSXEGXOJAGOS-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.50
Rot. Bonds7

About 1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea

1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea (PubChem CID 55570336) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
PubChem CID55570336
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCCC1CCCC1
InChIInChI=1S/C17H26N2O/c20-17(19-14-12-16-9-4-5-10-16)18-13-6-11-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2,(H2,18,19,20)
InChIKeyVHLSXEGXOJAGOS-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenylpropyl N-(2-cyclopentylethyl)carbamate
CID 54331746
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
2-phenylethyl N-(2-cyclopentylethyl)carbamate
CID 54511060
2-phenylethyl N-(2-cycloheptylethyl)carbamate
CID 54473124
3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
CID 54329594
1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea
CID 108888706
3-[(2-cyclopentylethylcarbamoylamino)methyl]benzoic acid
CID 61205581
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
CID 86879903
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
1-(dicyclopropylmethyl)-3-(3-phenylpropyl)urea
CID 36509029
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea (CID 55570336) is 1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)NCCC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea?
The InChIKey is VHLSXEGXOJAGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17(19-14-12-16-9-4-5-10-16)18-13-6-11-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2,(H2,18,19,20).
What are the key properties of 1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea?
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea has a molecular weight of 274.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 55570336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).