N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide

C32H48FNO — CID 135214922

IUPACN-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(c2ccc(C3CCC(C4CCC(CCCCC)CC4)CC3)c(F)c2)CC1
InChIInChI=1S/C32H48FNO/c1-3-5-6-7-23-8-10-24(11-9-23)25-12-14-27(15-13-25)30-21-18-28(22-31(30)33)26-16-19-29(20-17-26)34-32(35)4-2/h4,18,21-27,29H,2-3,5-17,19-20H2,1H3,(H,34,35)
InChIKeyYMZPNGSVMLGPAE-UHFFFAOYSA-N
MW481.74 g/mol
LogP8.81
Rot. Bonds9

About N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide

N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide (PubChem CID 135214922) has the molecular formula C32H48FNO and a molecular weight of 481.74 g/mol. Its IUPAC name is N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide
PubChem CID135214922
Molecular FormulaC32H48FNO
Molecular Weight481.74 g/mol
Exact Mass481.37
IUPAC NameN-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(c2ccc(C3CCC(C4CCC(CCCCC)CC4)CC3)c(F)c2)CC1
InChIInChI=1S/C32H48FNO/c1-3-5-6-7-23-8-10-24(11-9-23)25-12-14-27(15-13-25)30-21-18-28(22-31(30)33)26-16-19-29(20-17-26)34-32(35)4-2/h4,18,21-27,29H,2-3,5-17,19-20H2,1H3,(H,34,35)
InChIKeyYMZPNGSVMLGPAE-UHFFFAOYSA-N
XLogP8.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.74
LogP ≤ 58.81
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-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide with MolForge

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Related Compounds

N-[4-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245752
1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol
CID 135218652
4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 145235108
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide
CID 134244880
N-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-N-methylprop-2-enamide
CID 134244380
N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide
CID 134245771
2-fluoro-4-(4-methoxycyclohexyl)-1-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 139457155
1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol
CID 135218760
N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245605
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]benzene
CID 66824344
2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline
CID 145234992

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide?
The IUPAC name of N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide (CID 135214922) is N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide is C=CC(=O)NC1CCC(c2ccc(C3CCC(C4CCC(CCCCC)CC4)CC3)c(F)c2)CC1.
What is the InChIKey of N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide?
The InChIKey is YMZPNGSVMLGPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48FNO/c1-3-5-6-7-23-8-10-24(11-9-23)25-12-14-27(15-13-25)30-21-18-28(22-31(30)33)26-16-19-29(20-17-26)34-32(35)4-2/h4,18,21-27,29H,2-3,5-17,19-20H2,1H3,(H,34,35).
What are the key properties of N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide?
N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide has a molecular weight of 481.74 g/mol, XLogP of 8.81, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 135214922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).