(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate

C26H43ClN2O3 — CID 70021465

IUPAC(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate
SMILESCCCCCN(C)CCCCCCOC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H43ClN2O3/c1-4-5-8-19-28(2)20-9-6-7-10-21-31-24-17-13-23(14-18-24)29(3)26(30)32-25-15-11-22(27)12-16-25/h11-12,15-16,23-24H,4-10,13-14,17-21H2,1-3H3
InChIKeyGNPHBEDLZOYDHZ-UHFFFAOYSA-N
MW467.09 g/mol
LogP6.78
Rot. Bonds14

About (4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate

(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate (PubChem CID 70021465) has the molecular formula C26H43ClN2O3 and a molecular weight of 467.09 g/mol. Its IUPAC name is (4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate
PubChem CID70021465
Molecular FormulaC26H43ClN2O3
Molecular Weight467.09 g/mol
Exact Mass466.30
IUPAC Name(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate
SMILESCCCCCN(C)CCCCCCOC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H43ClN2O3/c1-4-5-8-19-28(2)20-9-6-7-10-21-31-24-17-13-23(14-18-24)29(3)26(30)32-25-15-11-22(27)12-16-25/h11-12,15-16,23-24H,4-10,13-14,17-21H2,1-3H3
InChIKeyGNPHBEDLZOYDHZ-UHFFFAOYSA-N
XLogP6.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.09
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate
CID 69194852
(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexyl]carbamate
CID 69194947
4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide
CID 70022140
[4-(trifluoromethyl)phenyl] N-[4-[4-(dimethoxyamino)butoxy]cyclohexyl]-N-methylcarbamate
CID 139983013
[4-(trifluoromethyl)phenyl] N-methyl-N-[4-[5-[methyl(pentyl)amino]pentyl]cyclohexyl]carbamate
CID 70020545
(4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate
CID 69196917
(4-bromophenyl) N-methyl-N-[4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexyl]carbamate
CID 69194887
methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid
CID 20760582
(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate
CID 10270911
(4-chlorophenyl) N-heptyl-N-hydroxycarbamate
CID 10731898
(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(prop-2-enyl)amino]propoxymethyl]cyclohexyl]carbamate
CID 69197969
3-(2,4-dimethylphenyl)-1-methyl-1-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]urea
CID 70022878

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate?
The IUPAC name of (4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate (CID 70021465) is (4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate.
What is the SMILES notation for (4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate?
The canonical SMILES for (4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate is CCCCCN(C)CCCCCCOC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate?
The InChIKey is GNPHBEDLZOYDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43ClN2O3/c1-4-5-8-19-28(2)20-9-6-7-10-21-31-24-17-13-23(14-18-24)29(3)26(30)32-25-15-11-22(27)12-16-25/h11-12,15-16,23-24H,4-10,13-14,17-21H2,1-3H3.
What are the key properties of (4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate?
(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate has a molecular weight of 467.09 g/mol, XLogP of 6.78, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate is sourced from PubChem (CID 70021465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).