1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea

C26H43N3O — CID 46911012

IUPAC1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea
SMILESO=C(NCCCc1ccncc1)N(CCCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C26H43N3O/c30-26(28-18-7-13-25-15-19-27-20-16-25)29(22-17-24-11-5-2-6-12-24)21-8-14-23-9-3-1-4-10-23/h15-16,19-20,23-24H,1-14,17-18,21-22H2,(H,28,30)
InChIKeyIZFDWQFZCBTURK-UHFFFAOYSA-N
MW413.65 g/mol
LogP6.36
Rot. Bonds11

About 1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea

1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea (PubChem CID 46911012) has the molecular formula C26H43N3O and a molecular weight of 413.65 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea
PubChem CID46911012
Molecular FormulaC26H43N3O
Molecular Weight413.65 g/mol
Exact Mass413.34
IUPAC Name1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea
SMILESO=C(NCCCc1ccncc1)N(CCCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C26H43N3O/c30-26(28-18-7-13-25-15-19-27-20-16-25)29(22-17-24-11-5-2-6-12-24)21-8-14-23-9-3-1-4-10-23/h15-16,19-20,23-24H,1-14,17-18,21-22H2,(H,28,30)
InChIKeyIZFDWQFZCBTURK-UHFFFAOYSA-N
XLogP6.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phenylethyl)urea
CID 87007292
N-(3-cyclopentylpropyl)-N-methyl-4-pyridin-4-ylbenzamide
CID 119060730
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
1-(2-cyclohexylethyl)-1-(2-hydroxyethyl)-3-(3-piperidin-1-ylpropyl)urea
CID 15541416
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896342
3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
CID 54329594
1-(2-cyclohexylethyl)-3-ethyl-1-(2-hydroxyethyl)urea
CID 150984877
cis-(1S,2R)-2-(2-pyridin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 713934
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
3-[4-[2-[4-cyclohexylbutyl(2-phenylethylcarbamoyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22230267

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea?
The IUPAC name of 1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea (CID 46911012) is 1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea is O=C(NCCCc1ccncc1)N(CCCC1CCCCC1)CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea?
The InChIKey is IZFDWQFZCBTURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O/c30-26(28-18-7-13-25-15-19-27-20-16-25)29(22-17-24-11-5-2-6-12-24)21-8-14-23-9-3-1-4-10-23/h15-16,19-20,23-24H,1-14,17-18,21-22H2,(H,28,30).
What are the key properties of 1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea?
1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea has a molecular weight of 413.65 g/mol, XLogP of 6.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-1-(3-cyclohexylpropyl)-3-(3-pyridin-4-ylpropyl)urea is sourced from PubChem (CID 46911012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).