[4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate

C26H41F3N2O2 — CID 70020545

IUPAC[4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate
SMILESCCCCCN(C)CCCCCC1CCC(N(C)C(=O)Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H41F3N2O2/c1-4-5-8-19-30(2)20-9-6-7-10-21-11-15-23(16-12-21)31(3)25(32)33-24-17-13-22(14-18-24)26(27,28)29/h13-14,17-18,21,23H,4-12,15-16,19-20H2,1-3H3
InChIKeyVKVZRAXOHKEJDN-UHFFFAOYSA-N
MW470.62 g/mol
LogP7.38
Rot. Bonds12

About [4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate

[4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate (PubChem CID 70020545) has the molecular formula C26H41F3N2O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate
PubChem CID70020545
Molecular FormulaC26H41F3N2O2
Molecular Weight470.62 g/mol
Exact Mass470.31
IUPAC Name[4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate
SMILESCCCCCN(C)CCCCCC1CCC(N(C)C(=O)Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H41F3N2O2/c1-4-5-8-19-30(2)20-9-6-7-10-21-11-15-23(16-12-21)31(3)25(32)33-24-17-13-22(14-18-24)26(27,28)29/h13-14,17-18,21,23H,4-12,15-16,19-20H2,1-3H3
InChIKeyVKVZRAXOHKEJDN-UHFFFAOYSA-N
XLogP7.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate
CID 69196917
[4-(trifluoromethyl)phenyl] N-[4-[4-(dimethoxyamino)butoxy]cyclohexyl]-N-methylcarbamate
CID 139983013
(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate
CID 70021465
(3,4-difluorophenyl) N-[4-[5-[ethyl(2-hydroxyethyl)amino]pentyl]cyclohexyl]-N-methylcarbamate
CID 69195987
N-[4-[5-[2-hydroxyethyl(methyl)amino]pentyl]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 71456888
N-methyl-N-[4-[5-[methyl(prop-2-enyl)amino]pentyl]cyclohexyl]-4-(trifluoromethyl)benzenecarbothioamide
CID 10114179
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
[4-(trifluoromethyl)phenyl] 4-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexane-1-carboxylate
CID 139868902
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
(4-dodecoxyphenyl) 4-pentylcyclohexane-1-carboxylate
CID 58240512
[4-(1,1,2,2,2-pentafluoroethoxy)phenyl] 4-pentylcyclohexane-1-carboxylate
CID 18650596
[4-(difluoromethoxy)phenyl] 3-(4-hexylcyclohexyl)propanoate
CID 67789714

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate (CID 70020545) is [4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate is CCCCCN(C)CCCCCC1CCC(N(C)C(=O)Oc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate?
The InChIKey is VKVZRAXOHKEJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41F3N2O2/c1-4-5-8-19-30(2)20-9-6-7-10-21-11-15-23(16-12-21)31(3)25(32)33-24-17-13-22(14-18-24)26(27,28)29/h13-14,17-18,21,23H,4-12,15-16,19-20H2,1-3H3.
What are the key properties of [4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate?
[4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate has a molecular weight of 470.62 g/mol, XLogP of 7.38, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate is sourced from PubChem (CID 70020545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).