N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide

C32H51NO — CID 142281906

IUPACN-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1ccc(C2CCC(C3CCC(CCCCCCCCC)CC3)CC2)cc1
InChIInChI=1S/C32H51NO/c1-3-5-6-7-8-9-10-11-26-12-16-28(17-13-26)30-20-22-31(23-21-30)29-18-14-27(15-19-29)24-25-33-32(34)4-2/h4,14-15,18-19,26,28,30-31H,2-3,5-13,16-17,20-25H2,1H3,(H,33,34)
InChIKeyRDICWMZLZMGLLA-UHFFFAOYSA-N
MW465.77 g/mol
LogP8.75
Rot. Bonds14

About N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide

N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide (PubChem CID 142281906) has the molecular formula C32H51NO and a molecular weight of 465.77 g/mol. Its IUPAC name is N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
PubChem CID142281906
Molecular FormulaC32H51NO
Molecular Weight465.77 g/mol
Exact Mass465.40
IUPAC NameN-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1ccc(C2CCC(C3CCC(CCCCCCCCC)CC3)CC2)cc1
InChIInChI=1S/C32H51NO/c1-3-5-6-7-8-9-10-11-26-12-16-28(17-13-26)30-20-22-31(23-21-30)29-18-14-27(15-19-29)24-25-33-32(34)4-2/h4,14-15,18-19,26,28,30-31H,2-3,5-13,16-17,20-25H2,1H3,(H,33,34)
InChIKeyRDICWMZLZMGLLA-UHFFFAOYSA-N
XLogP8.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.77
LogP ≤ 58.75
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

N-[2-[4-[4-[5-(4-pentylcyclohexyl)-1,3-dioxan-2-yl]phenyl]cyclohexyl]oxyethyl]prop-2-enamide
CID 135214980
N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide
CID 135214857
N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide
CID 134246486
N-[2,2,3,3-tetrafluoro-3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide
CID 135214795
[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl] prop-2-enoate
CID 142707546
N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide
CID 134245407
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide
CID 134245513
N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
CID 134245404
formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 142282678
2-(4-but-3-enylphenyl)-6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837107
N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 134246489

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide (CID 142281906) is N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide is C=CC(=O)NCCc1ccc(C2CCC(C3CCC(CCCCCCCCC)CC3)CC2)cc1.
What is the InChIKey of N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide?
The InChIKey is RDICWMZLZMGLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51NO/c1-3-5-6-7-8-9-10-11-26-12-16-28(17-13-26)30-20-22-31(23-21-30)29-18-14-27(15-19-29)24-25-33-32(34)4-2/h4,14-15,18-19,26,28,30-31H,2-3,5-13,16-17,20-25H2,1H3,(H,33,34).
What are the key properties of N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide?
N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide has a molecular weight of 465.77 g/mol, XLogP of 8.75, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 142281906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).