N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide

C32H46FNO — CID 134245771

IUPACN-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide
SMILESC=CCCC1CCC(C2CCC(c3ccc(C4CCC(NC(=O)C(=C)C)CC4)c(F)c3)CC2)CC1
InChIInChI=1S/C32H46FNO/c1-4-5-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)28-17-20-30(31(33)21-28)27-15-18-29(19-16-27)34-32(35)22(2)3/h4,17,20-21,23-27,29H,1-2,5-16,18-19H2,3H3,(H,34,35)
InChIKeyRIXGVQAKDFJKIF-UHFFFAOYSA-N
MW479.72 g/mol
LogP8.59
Rot. Bonds8

About N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide

N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide (PubChem CID 134245771) has the molecular formula C32H46FNO and a molecular weight of 479.72 g/mol. Its IUPAC name is N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide
PubChem CID134245771
Molecular FormulaC32H46FNO
Molecular Weight479.72 g/mol
Exact Mass479.36
IUPAC NameN-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide
SMILESC=CCCC1CCC(C2CCC(c3ccc(C4CCC(NC(=O)C(=C)C)CC4)c(F)c3)CC2)CC1
InChIInChI=1S/C32H46FNO/c1-4-5-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)28-17-20-30(31(33)21-28)27-15-18-29(19-16-27)34-32(35)22(2)3/h4,17,20-21,23-27,29H,1-2,5-16,18-19H2,3H3,(H,34,35)
InChIKeyRIXGVQAKDFJKIF-UHFFFAOYSA-N
XLogP8.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.72
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide with MolForge

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Related Compounds

4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexan-1-ol
CID 145235065
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-[2-[4-[4-[4-(4-but-3-enylcyclohexyl)-2-fluorophenyl]cyclohexyl]cyclohexyl]oxyethyl]prop-2-enamide
CID 134244502
4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-chloro-2-fluorobenzene
CID 139724795
1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol
CID 135218652
5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 20625439
4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 145235108
1,2-difluoro-4-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]benzene
CID 139724806
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 18724321

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide (CID 134245771) is N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide is C=CCCC1CCC(C2CCC(c3ccc(C4CCC(NC(=O)C(=C)C)CC4)c(F)c3)CC2)CC1.
What is the InChIKey of N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide?
The InChIKey is RIXGVQAKDFJKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46FNO/c1-4-5-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)28-17-20-30(31(33)21-28)27-15-18-29(19-16-27)34-32(35)22(2)3/h4,17,20-21,23-27,29H,1-2,5-16,18-19H2,3H3,(H,34,35).
What are the key properties of N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide?
N-[4-[4-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide has a molecular weight of 479.72 g/mol, XLogP of 8.59, 8 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-but-3-enylcyclohexyl)cyclohexyl]-2-fluorophenyl]cyclohexyl]-2-methylprop-2-enamide is sourced from PubChem (CID 134245771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).