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

C30H47NO — CID 134246489

IUPACN,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCc1ccc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc1
InChIInChI=1S/C30H47NO/c1-5-6-7-8-24-9-13-26(14-10-24)28-17-19-29(20-18-28)27-15-11-25(12-16-27)21-22-31(4)30(32)23(2)3/h11-12,15-16,24,26,28-29H,2,5-10,13-14,17-22H2,1,3-4H3
InChIKeyWKXBKOFFTCKQAH-UHFFFAOYSA-N
MW437.71 g/mol
LogP7.92
Rot. Bonds10

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

N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide (PubChem CID 134246489) has the molecular formula C30H47NO and a molecular weight of 437.71 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
PubChem CID134246489
Molecular FormulaC30H47NO
Molecular Weight437.71 g/mol
Exact Mass437.37
IUPAC NameN,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCc1ccc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc1
InChIInChI=1S/C30H47NO/c1-5-6-7-8-24-9-13-26(14-10-24)28-17-19-29(20-18-28)27-15-11-25(12-16-27)21-22-31(4)30(32)23(2)3/h11-12,15-16,24,26,28-29H,2,5-10,13-14,17-22H2,1,3-4H3
InChIKeyWKXBKOFFTCKQAH-UHFFFAOYSA-N
XLogP7.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.71
LogP ≤ 57.92
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-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide
CID 134246264
formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 142282678
N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide
CID 134245407
N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide
CID 134246486
N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide
CID 134245513
N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 142281906
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
CID 134245404
4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]cyclohexane-1-carboxylic acid
CID 141265956
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene;N-methylformamide;2-methylprop-1-ene
CID 145235126
[2-(hydroxymethyl)-3-[6-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]propyl] 2-methylprop-2-enoate
CID 139525265
[2-(hydroxymethyl)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]butyl] 2-methylidenebutanoate
CID 146659711

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide (CID 134246489) is N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide is C=C(C)C(=O)N(C)CCc1ccc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc1.
What is the InChIKey of N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide?
The InChIKey is WKXBKOFFTCKQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47NO/c1-5-6-7-8-24-9-13-26(14-10-24)28-17-19-29(20-18-28)27-15-11-25(12-16-27)21-22-31(4)30(32)23(2)3/h11-12,15-16,24,26,28-29H,2,5-10,13-14,17-22H2,1,3-4H3.
What are the key properties of N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide?
N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide has a molecular weight of 437.71 g/mol, XLogP of 7.92, 10 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-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 134246489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).