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

C22H39NO2 — CID 134246445

IUPACN-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)N(C)C1CCC(COC2CCC(CCCCC)CC2)CC1
InChIInChI=1S/C22H39NO2/c1-4-6-7-8-18-11-15-21(16-12-18)25-17-19-9-13-20(14-10-19)23(3)22(24)5-2/h5,18-21H,2,4,6-17H2,1,3H3
InChIKeyZIXLYFIBMXBRMK-UHFFFAOYSA-N
MW349.56 g/mol
LogP5.35
Rot. Bonds9

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

N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide (PubChem CID 134246445) has the molecular formula C22H39NO2 and a molecular weight of 349.56 g/mol. Its IUPAC name is N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide
PubChem CID134246445
Molecular FormulaC22H39NO2
Molecular Weight349.56 g/mol
Exact Mass349.30
IUPAC NameN-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide
SMILESC=CC(=O)N(C)C1CCC(COC2CCC(CCCCC)CC2)CC1
InChIInChI=1S/C22H39NO2/c1-4-6-7-8-18-11-15-21(16-12-18)25-17-19-9-13-20(14-10-19)23(3)22(24)5-2/h5,18-21H,2,4,6-17H2,1,3H3
InChIKeyZIXLYFIBMXBRMK-UHFFFAOYSA-N
XLogP5.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

1-methyl-4-[(4-pentylcyclohexyl)oxymethyl]cyclohexane
CID 20516714
1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886323
N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 135214899
N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide
CID 134244992
1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane
CID 22886257
4-[(4-heptylcyclohexyl)oxymethyl]cyclohexane-1-carbonitrile
CID 20516716
4-heptyl-N,N-dimethylcyclohexan-1-amine
CID 135256513
3-[4-[(4-pentylcyclohexyl)methoxy]cyclohexyl]prop-2-enenitrile
CID 54255685
1-pentyl-4-[3-(4-pentylcyclohexyl)oxypropyl]cyclohexane
CID 19738835
N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
CID 134245404
(4-pentylcyclohexyl) hydrogen carbonate
CID 22076680
octadecane;pentadecylcyclopropane
CID 173301851

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide (CID 134246445) is N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide is C=CC(=O)N(C)C1CCC(COC2CCC(CCCCC)CC2)CC1.
What is the InChIKey of N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide?
The InChIKey is ZIXLYFIBMXBRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO2/c1-4-6-7-8-18-11-15-21(16-12-18)25-17-19-9-13-20(14-10-19)23(3)22(24)5-2/h5,18-21H,2,4,6-17H2,1,3H3.
What are the key properties of N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide?
N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide has a molecular weight of 349.56 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide is sourced from PubChem (CID 134246445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).