N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide

C32H53NO — CID 134245605

IUPACN-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C2CCC(C3=CCC(C4CCC(CCCCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C32H53NO/c1-3-5-6-7-24-8-10-25(11-9-24)26-12-14-27(15-13-26)28-16-18-29(19-17-28)30-20-22-31(23-21-30)33-32(34)4-2/h4,14,24-26,28-31H,2-3,5-13,15-23H2,1H3,(H,33,34)
InChIKeyYYOKUUZMDDVTJX-UHFFFAOYSA-N
MW467.78 g/mol
LogP8.77
Rot. Bonds9

About N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide

N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide (PubChem CID 134245605) has the molecular formula C32H53NO and a molecular weight of 467.78 g/mol. Its IUPAC name is N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
PubChem CID134245605
Molecular FormulaC32H53NO
Molecular Weight467.78 g/mol
Exact Mass467.41
IUPAC NameN-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C2CCC(C3=CCC(C4CCC(CCCCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C32H53NO/c1-3-5-6-7-24-8-10-25(11-9-24)26-12-14-27(15-13-26)28-16-18-29(19-17-28)30-20-22-31(23-21-30)33-32(34)4-2/h4,14,24-26,28-31H,2-3,5-13,15-23H2,1H3,(H,33,34)
InChIKeyYYOKUUZMDDVTJX-UHFFFAOYSA-N
XLogP8.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.78
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide with MolForge

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Related Compounds

N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide
CID 134244880
N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 135214899
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-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide
CID 134246443
N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide
CID 134244993
N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 142281906
N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide
CID 135214857
4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803732
[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl] prop-2-enoate
CID 142707546
1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19987930
(4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene
CID 126551924

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide?
The IUPAC name of N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide (CID 134245605) is N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide is C=CC(=O)NC1CCC(C2CCC(C3=CCC(C4CCC(CCCCC)CC4)CC3)CC2)CC1.
What is the InChIKey of N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide?
The InChIKey is YYOKUUZMDDVTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53NO/c1-3-5-6-7-24-8-10-25(11-9-24)26-12-14-27(15-13-26)28-16-18-29(19-17-28)30-20-22-31(23-21-30)33-32(34)4-2/h4,14,24-26,28-31H,2-3,5-13,15-23H2,1H3,(H,33,34).
What are the key properties of N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide?
N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide has a molecular weight of 467.78 g/mol, XLogP of 8.77, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 134245605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).