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

C22H39NO — CID 134244992

IUPACN-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC1CCC(C2CCC(CCCCC)CC2)CC1
InChIInChI=1S/C22H39NO/c1-4-6-7-8-18-9-13-20(14-10-18)21-15-11-19(12-16-21)17-23(3)22(24)5-2/h5,18-21H,2,4,6-17H2,1,3H3
InChIKeyYMRVTBCSYRIYCW-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.82
Rot. Bonds8

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

N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide (PubChem CID 134244992) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide
PubChem CID134244992
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC NameN-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC1CCC(C2CCC(CCCCC)CC2)CC1
InChIInChI=1S/C22H39NO/c1-4-6-7-8-18-9-13-20(14-10-18)21-15-11-19(12-16-21)17-23(3)22(24)5-2/h5,18-21H,2,4,6-17H2,1,3H3
InChIKeyYMRVTBCSYRIYCW-UHFFFAOYSA-N
XLogP5.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 55.82
H-Bond Donors ≤ 50
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,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine
CID 142282726
N,N-dimethyl-1-[4-(4-pentylcyclohexyl)cyclohexyl]methanamine;2-methylprop-2-enal
CID 142282725
N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide
CID 134244880
N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
CID 134245404
ethane;1-(3-methylidenepent-4-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 145235002
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
N-methyl-N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 135214899
N-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-N-methylprop-2-enamide
CID 134244380
N-methyl-N-[4-[(4-pentylcyclohexyl)oxymethyl]cyclohexyl]prop-2-enamide
CID 134246445
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide (CID 134244992) is N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide is C=CC(=O)N(C)CC1CCC(C2CCC(CCCCC)CC2)CC1.
What is the InChIKey of N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide?
The InChIKey is YMRVTBCSYRIYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-4-6-7-8-18-9-13-20(14-10-18)21-15-11-19(12-16-21)17-23(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)cyclohexyl]methyl]prop-2-enamide?
N-methyl-N-[[4-(4-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide has a molecular weight of 333.56 g/mol, XLogP of 5.82, 8 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-pentylcyclohexyl)cyclohexyl]methyl]prop-2-enamide is sourced from PubChem (CID 134244992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).