N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide

C24H37NO — CID 134246264

IUPACN,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCc1ccc(C2CCC(CCCCC)CC2)cc1
InChIInChI=1S/C24H37NO/c1-5-6-7-8-20-9-13-22(14-10-20)23-15-11-21(12-16-23)17-18-25(4)24(26)19(2)3/h11-12,15-16,20,22H,2,5-10,13-14,17-18H2,1,3-4H3
InChIKeyVTPKYZSDAWUUKJ-UHFFFAOYSA-N
MW355.57 g/mol
LogP6.12
Rot. Bonds9

About N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide

N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide (PubChem CID 134246264) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide
PubChem CID134246264
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC NameN,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCc1ccc(C2CCC(CCCCC)CC2)cc1
InChIInChI=1S/C24H37NO/c1-5-6-7-8-20-9-13-22(14-10-20)23-15-11-21(12-16-23)17-18-25(4)24(26)19(2)3/h11-12,15-16,20,22H,2,5-10,13-14,17-18H2,1,3-4H3
InChIKeyVTPKYZSDAWUUKJ-UHFFFAOYSA-N
XLogP6.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 134246489
N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide
CID 134246486
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
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
CID 134245404
formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 142282678
4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]cyclohexane-1-carboxylic acid
CID 141265956
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene;N-methylformamide;2-methylprop-1-ene
CID 145235126
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide (CID 134246264) is N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide is C=C(C)C(=O)N(C)CCc1ccc(C2CCC(CCCCC)CC2)cc1.
What is the InChIKey of N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide?
The InChIKey is VTPKYZSDAWUUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO/c1-5-6-7-8-20-9-13-22(14-10-20)23-15-11-21(12-16-23)17-18-25(4)24(26)19(2)3/h11-12,15-16,20,22H,2,5-10,13-14,17-18H2,1,3-4H3.
What are the key properties of N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide?
N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide has a molecular weight of 355.57 g/mol, XLogP of 6.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 134246264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).