N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide

C26H41NO — CID 134246486

IUPACN-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCc1ccc(C2CCC(CCCCCCC)CC2)cc1
InChIInChI=1S/C26H41NO/c1-4-5-6-7-8-10-22-12-16-24(17-13-22)25-18-14-23(15-19-25)11-9-20-27-26(28)21(2)3/h14-15,18-19,22,24H,2,4-13,16-17,20H2,1,3H3,(H,27,28)
InChIKeyDWQWPPAUPXEGTF-UHFFFAOYSA-N
MW383.62 g/mol
LogP6.95
Rot. Bonds12

About N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide

N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide (PubChem CID 134246486) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide
PubChem CID134246486
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC NameN-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCc1ccc(C2CCC(CCCCCCC)CC2)cc1
InChIInChI=1S/C26H41NO/c1-4-5-6-7-8-10-22-12-16-24(17-13-22)25-18-14-23(15-19-25)11-9-20-27-26(28)21(2)3/h14-15,18-19,22,24H,2,4-13,16-17,20H2,1,3H3,(H,27,28)
InChIKeyDWQWPPAUPXEGTF-UHFFFAOYSA-N
XLogP6.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 56.95
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-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-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-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide
CID 134245611
N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide
CID 134246264
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 142281906
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 142282678
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene;N-methylformamide;2-methylprop-1-ene
CID 145235126

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide (CID 134246486) is N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCc1ccc(C2CCC(CCCCCCC)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide?
The InChIKey is DWQWPPAUPXEGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO/c1-4-5-6-7-8-10-22-12-16-24(17-13-22)25-18-14-23(15-19-25)11-9-20-27-26(28)21(2)3/h14-15,18-19,22,24H,2,4-13,16-17,20H2,1,3H3,(H,27,28).
What are the key properties of N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide?
N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide has a molecular weight of 383.62 g/mol, XLogP of 6.95, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 134246486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).