N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide

C28H49NO — CID 134244880

IUPACN-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(CCC2CCC(C3CCC(CCCCC)CC3)CC2)CC1
InChIInChI=1S/C28H49NO/c1-3-5-6-7-22-10-16-25(17-11-22)26-18-12-23(13-19-26)8-9-24-14-20-27(21-15-24)29-28(30)4-2/h4,22-27H,2-3,5-21H2,1H3,(H,29,30)
InChIKeyDAXZERHLPURCSW-UHFFFAOYSA-N
MW415.71 g/mol
LogP7.82
Rot. Bonds10

About N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide

N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide (PubChem CID 134244880) has the molecular formula C28H49NO and a molecular weight of 415.71 g/mol. Its IUPAC name is N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide
PubChem CID134244880
Molecular FormulaC28H49NO
Molecular Weight415.71 g/mol
Exact Mass415.38
IUPAC NameN-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(CCC2CCC(C3CCC(CCCCC)CC3)CC2)CC1
InChIInChI=1S/C28H49NO/c1-3-5-6-7-22-10-16-25(17-11-22)26-18-12-23(13-19-26)8-9-24-14-20-27(21-15-24)29-28(30)4-2/h4,22-27H,2-3,5-21H2,1H3,(H,29,30)
InChIKeyDAXZERHLPURCSW-UHFFFAOYSA-N
XLogP7.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.71
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide with MolForge

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Related Compounds

N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide
CID 134246443
N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide
CID 134244993
N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245605
N-[4-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245752
N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide
CID 135214922
N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide
CID 134244992
ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 145235002
N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide
CID 130426855
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
N-(4-prop-2-enylcyclohexyl)prop-2-enamide
CID 144952978

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide?
The IUPAC name of N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide (CID 134244880) is N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide is C=CC(=O)NC1CCC(CCC2CCC(C3CCC(CCCCC)CC3)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide?
The InChIKey is DAXZERHLPURCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49NO/c1-3-5-6-7-22-10-16-25(17-11-22)26-18-12-23(13-19-26)8-9-24-14-20-27(21-15-24)29-28(30)4-2/h4,22-27H,2-3,5-21H2,1H3,(H,29,30).
What are the key properties of N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide?
N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide has a molecular weight of 415.71 g/mol, XLogP of 7.82, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 134244880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).