N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide

C33H55NO — CID 135214899

IUPACN-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)N(C)C1CCC(C2CCC(C3=CCC(C4CCC(CCCCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C33H55NO/c1-4-6-7-8-25-9-11-26(12-10-25)27-13-15-28(16-14-27)29-17-19-30(20-18-29)31-21-23-32(24-22-31)34(3)33(35)5-2/h5,15,25-27,29-32H,2,4,6-14,16-24H2,1,3H3
InChIKeySKCLBAKFNJFVBO-UHFFFAOYSA-N
MW481.81 g/mol
LogP9.11
Rot. Bonds9

About N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide

N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide (PubChem CID 135214899) has the molecular formula C33H55NO and a molecular weight of 481.81 g/mol. Its IUPAC name is N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
PubChem CID135214899
Molecular FormulaC33H55NO
Molecular Weight481.81 g/mol
Exact Mass481.43
IUPAC NameN-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)N(C)C1CCC(C2CCC(C3=CCC(C4CCC(CCCCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C33H55NO/c1-4-6-7-8-25-9-11-26(12-10-25)27-13-15-28(16-14-27)29-17-19-30(20-18-29)31-21-23-32(24-22-31)34(3)33(35)5-2/h5,15,25-27,29-32H,2,4,6-14,16-24H2,1,3H3
InChIKeySKCLBAKFNJFVBO-UHFFFAOYSA-N
XLogP9.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.81
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide with MolForge

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Related Compounds

N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245605
N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide
CID 134246445
N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide
CID 134244992
N-methyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl]prop-2-enamide
CID 134244941
N-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-N-methylprop-2-enamide
CID 134244380
N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
CID 134245404
[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
(4R)-4-(4-but-3-enylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene
CID 126551924
N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide
CID 134245513
4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803732
1-ethyl-4-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]benzene
CID 18647721

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide (CID 135214899) is N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide is C=CC(=O)N(C)C1CCC(C2CCC(C3=CCC(C4CCC(CCCCC)CC4)CC3)CC2)CC1.
What is the InChIKey of N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide?
The InChIKey is SKCLBAKFNJFVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H55NO/c1-4-6-7-8-25-9-11-26(12-10-25)27-13-15-28(16-14-27)29-17-19-30(20-18-29)31-21-23-32(24-22-31)34(3)33(35)5-2/h5,15,25-27,29-32H,2,4,6-14,16-24H2,1,3H3.
What are the key properties of N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide?
N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide has a molecular weight of 481.81 g/mol, XLogP of 9.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 135214899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).