N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide

C24H37NO — CID 134245407

IUPACN-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCCc1ccc(C2CCC(CCCCC)CC2)cc1
InChIInChI=1S/C24H37NO/c1-4-6-7-9-20-11-15-22(16-12-20)23-17-13-21(14-18-23)10-8-19-25(3)24(26)5-2/h5,13-14,17-18,20,22H,2,4,6-12,15-16,19H2,1,3H3
InChIKeyWAZPSTCBCRHMBA-UHFFFAOYSA-N
MW355.57 g/mol
LogP6.12
Rot. Bonds10

About N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide

N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide (PubChem CID 134245407) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide
PubChem CID134245407
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC NameN-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCCc1ccc(C2CCC(CCCCC)CC2)cc1
InChIInChI=1S/C24H37NO/c1-4-6-7-9-20-11-15-22(16-12-20)23-17-13-21(14-18-23)10-8-19-25(3)24(26)5-2/h5,13-14,17-18,20,22H,2,4,6-12,15-16,19H2,1,3H3
InChIKeyWAZPSTCBCRHMBA-UHFFFAOYSA-N
XLogP6.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 56.12
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-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide
CID 134245513
N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
CID 134245404
N-[3-[4-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]phenyl]propyl]-N-methylprop-2-enamide
CID 134245530
N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide
CID 134246264
N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 134246489
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 142281906
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide (CID 134245407) is N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide is C=CC(=O)N(C)CCCc1ccc(C2CCC(CCCCC)CC2)cc1.
What is the InChIKey of N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide?
The InChIKey is WAZPSTCBCRHMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO/c1-4-6-7-9-20-11-15-22(16-12-20)23-17-13-21(14-18-23)10-8-19-25(3)24(26)5-2/h5,13-14,17-18,20,22H,2,4,6-12,15-16,19H2,1,3H3.
What are the key properties of N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide?
N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide has a molecular weight of 355.57 g/mol, XLogP of 6.12, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide is sourced from PubChem (CID 134245407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).