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

C22H33NO — CID 134245404

IUPACN-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1ccc(C2CCC(CCCCC)CC2)cc1
InChIInChI=1S/C22H33NO/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/h5,11-12,15-16,18,20H,2,4,6-10,13-14,17H2,1,3H3
InChIKeyNSDWSAGOSCXGHQ-UHFFFAOYSA-N
MW327.51 g/mol
LogP5.69
Rot. Bonds8

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

N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide (PubChem CID 134245404) has the molecular formula C22H33NO and a molecular weight of 327.51 g/mol. Its IUPAC name is N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
PubChem CID134245404
Molecular FormulaC22H33NO
Molecular Weight327.51 g/mol
Exact Mass327.26
IUPAC NameN-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1ccc(C2CCC(CCCCC)CC2)cc1
InChIInChI=1S/C22H33NO/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/h5,11-12,15-16,18,20H,2,4,6-10,13-14,17H2,1,3H3
InChIKeyNSDWSAGOSCXGHQ-UHFFFAOYSA-N
XLogP5.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.51
LogP ≤ 55.69
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-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide
CID 134245407
N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide
CID 134245513
N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide
CID 135214857
N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide
CID 134246264
N-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-N-methylprop-2-enamide
CID 134244380
[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl] prop-2-enoate
CID 142707546
N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 142281906
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-(4-heptylcyclohexyl)benzoic acid
CID 12700035
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
2-[(dimethylamino)methyl]prop-2-enal;4-(4-heptylcyclohexyl)phenol
CID 142282750
N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 134246489

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide (CID 134245404) is N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]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)phenyl]methyl]prop-2-enamide?
The InChIKey is NSDWSAGOSCXGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO/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/h5,11-12,15-16,18,20H,2,4,6-10,13-14,17H2,1,3H3.
What are the key properties of N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide?
N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide has a molecular weight of 327.51 g/mol, XLogP of 5.69, 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)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 134245404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).