N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide

C33H40FNO — CID 134244287

IUPACN-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCc1ccc2cc(-c3ccc(C4CCC(CCCCC)CC4)cc3F)ccc2c1
InChIInChI=1S/C33H40FNO/c1-3-5-6-8-24-10-13-26(14-11-24)29-18-19-31(32(34)23-29)30-17-16-27-21-25(12-15-28(27)22-30)9-7-20-35-33(36)4-2/h4,12,15-19,21-24,26H,2-3,5-11,13-14,20H2,1H3,(H,35,36)
InChIKeyOPUDQPOZVSEGKM-UHFFFAOYSA-N
MW485.69 g/mol
LogP8.73
Rot. Bonds11

About N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide

N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide (PubChem CID 134244287) has the molecular formula C33H40FNO and a molecular weight of 485.69 g/mol. Its IUPAC name is N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide
PubChem CID134244287
Molecular FormulaC33H40FNO
Molecular Weight485.69 g/mol
Exact Mass485.31
IUPAC NameN-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCc1ccc2cc(-c3ccc(C4CCC(CCCCC)CC4)cc3F)ccc2c1
InChIInChI=1S/C33H40FNO/c1-3-5-6-8-24-10-13-26(14-11-24)29-18-19-31(32(34)23-29)30-17-16-27-21-25(12-15-28(27)22-30)9-7-20-35-33(36)4-2/h4,12,15-19,21-24,26H,2-3,5-11,13-14,20H2,1H3,(H,35,36)
InChIKeyOPUDQPOZVSEGKM-UHFFFAOYSA-N
XLogP8.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.69
LogP ≤ 58.73
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'}

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Related Compounds

6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-N-methylnaphthalen-2-amine;prop-2-enal
CID 145234936
N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 142281906
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
N-[3-[4-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]-2-fluorophenyl]propyl]prop-2-enamide
CID 134244884
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
N-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide
CID 134246290
N-[4-[2-fluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]phenyl]phenyl]prop-2-enamide
CID 135214904
N-[2-[3-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]phenyl]ethyl]prop-2-enamide
CID 134245599
(4-propylphenyl) 4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzoate
CID 18596409
1-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 67901195
1-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 19906956
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-pentylnaphthalene
CID 139860728

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide?
The IUPAC name of N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide (CID 134244287) is N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide is C=CC(=O)NCCCc1ccc2cc(-c3ccc(C4CCC(CCCCC)CC4)cc3F)ccc2c1.
What is the InChIKey of N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide?
The InChIKey is OPUDQPOZVSEGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40FNO/c1-3-5-6-8-24-10-13-26(14-11-24)29-18-19-31(32(34)23-29)30-17-16-27-21-25(12-15-28(27)22-30)9-7-20-35-33(36)4-2/h4,12,15-19,21-24,26H,2-3,5-11,13-14,20H2,1H3,(H,35,36).
What are the key properties of N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide?
N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide has a molecular weight of 485.69 g/mol, XLogP of 8.73, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide is sourced from PubChem (CID 134244287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).