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

C34H47NO — CID 134246290

IUPACN-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCC(c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)c(C)c2)CC1
InChIInChI=1S/C34H47NO/c1-4-6-7-8-26-9-13-28(14-10-26)29-17-19-31(20-18-29)33-22-21-32(23-25(33)3)30-15-11-27(12-16-30)24-35-34(36)5-2/h5,17-23,26-28,30H,2,4,6-16,24H2,1,3H3,(H,35,36)
InChIKeyDEDYFMZAXOVHRB-UHFFFAOYSA-N
MW485.76 g/mol
LogP9.09
Rot. Bonds10

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

N-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide (PubChem CID 134246290) has the molecular formula C34H47NO and a molecular weight of 485.76 g/mol. Its IUPAC name is N-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide
PubChem CID134246290
Molecular FormulaC34H47NO
Molecular Weight485.76 g/mol
Exact Mass485.37
IUPAC NameN-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCC(c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)c(C)c2)CC1
InChIInChI=1S/C34H47NO/c1-4-6-7-8-26-9-13-28(14-10-26)29-17-19-31(20-18-29)33-22-21-32(23-25(33)3)30-15-11-27(12-16-30)24-35-34(36)5-2/h5,17-23,26-28,30H,2,4,6-16,24H2,1,3H3,(H,35,36)
InChIKeyDEDYFMZAXOVHRB-UHFFFAOYSA-N
XLogP9.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.76
LogP ≤ 59.09
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-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide with MolForge

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Related Compounds

N-[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]prop-2-enamide
CID 135214843
N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide
CID 135214857
N-[3-[6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalen-2-yl]propyl]prop-2-enamide
CID 134244287
N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 142281906
N-[2,2,3,3-tetrafluoro-3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide
CID 135214795
1-(4-isothiocyanatophenyl)-2-methyl-4-(4-pentylcyclohexyl)benzene
CID 168853386
2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[2-methyl-4-(4-pentylcyclohexyl)phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 134244892
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1-ethenoxy-2,3-difluoro-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 134358618
[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl] prop-2-enoate
CID 142707546
[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]methanol
CID 118150513
4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol
CID 139457537

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide?
The IUPAC name of N-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide (CID 134246290) is N-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide is C=CC(=O)NCC1CCC(c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)c(C)c2)CC1.
What is the InChIKey of N-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide?
The InChIKey is DEDYFMZAXOVHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47NO/c1-4-6-7-8-26-9-13-28(14-10-26)29-17-19-31(20-18-29)33-22-21-32(23-25(33)3)30-15-11-27(12-16-30)24-35-34(36)5-2/h5,17-23,26-28,30H,2,4,6-16,24H2,1,3H3,(H,35,36).
What are the key properties of N-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide?
N-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide has a molecular weight of 485.76 g/mol, XLogP of 9.09, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-methyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]cyclohexyl]methyl]prop-2-enamide is sourced from PubChem (CID 134246290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).