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

C28H43NO — CID 135214857

IUPACN-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C2CCC(CCC3CCC(CCCCC)CC3)CC2)cc1
InChIInChI=1S/C28H43NO/c1-3-5-6-7-22-8-10-23(11-9-22)12-13-24-14-16-25(17-15-24)26-18-20-27(21-19-26)29-28(30)4-2/h4,18-25H,2-3,5-17H2,1H3,(H,29,30)
InChIKeyFNVRIXBULXZMBN-UHFFFAOYSA-N
MW409.66 g/mol
LogP8.25
Rot. Bonds10

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

N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide (PubChem CID 135214857) has the molecular formula C28H43NO and a molecular weight of 409.66 g/mol. Its IUPAC name is N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide
PubChem CID135214857
Molecular FormulaC28H43NO
Molecular Weight409.66 g/mol
Exact Mass409.33
IUPAC NameN-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C2CCC(CCC3CCC(CCCCC)CC3)CC2)cc1
InChIInChI=1S/C28H43NO/c1-3-5-6-7-22-8-10-23(11-9-22)12-13-24-14-16-25(17-15-24)26-18-20-27(21-19-26)29-28(30)4-2/h4,18-25H,2-3,5-17H2,1H3,(H,29,30)
InChIKeyFNVRIXBULXZMBN-UHFFFAOYSA-N
XLogP8.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.66
LogP ≤ 58.25
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-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide
CID 134244970
N-[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]prop-2-enamide
CID 135214843
N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide
CID 134245611
N-methyl-4-(4-pentylcyclohexyl)aniline;prop-2-enal
CID 142282274
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
N-methyl-4-(4-pentylcyclohexyl)aniline;2-methylprop-2-enal
CID 142281511
N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
CID 134245404
[4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid
CID 70462906
[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl] prop-2-enoate
CID 142707546
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide (CID 135214857) is N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C2CCC(CCC3CCC(CCCCC)CC3)CC2)cc1.
What is the InChIKey of N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide?
The InChIKey is FNVRIXBULXZMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NO/c1-3-5-6-7-22-8-10-23(11-9-22)12-13-24-14-16-25(17-15-24)26-18-20-27(21-19-26)29-28(30)4-2/h4,18-25H,2-3,5-17H2,1H3,(H,29,30).
What are the key properties of N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide?
N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide has a molecular weight of 409.66 g/mol, XLogP of 8.25, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide is sourced from PubChem (CID 135214857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).