(4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate

C25H41ClN2O4 — CID 69194852

IUPAC(4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate
SMILESCCN(CCCCCCOC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1)CCOC
InChIInChI=1S/C25H41ClN2O4/c1-4-28(18-20-30-3)17-7-5-6-8-19-31-23-15-11-22(12-16-23)27(2)25(29)32-24-13-9-21(26)10-14-24/h9-10,13-14,22-23H,4-8,11-12,15-20H2,1-3H3
InChIKeyRDAWIJPGAICSQM-UHFFFAOYSA-N
MW469.07 g/mol
LogP5.63
Rot. Bonds14

About (4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate

(4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate (PubChem CID 69194852) has the molecular formula C25H41ClN2O4 and a molecular weight of 469.07 g/mol. Its IUPAC name is (4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Name(4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate
PubChem CID69194852
Molecular FormulaC25H41ClN2O4
Molecular Weight469.07 g/mol
Exact Mass468.28
IUPAC Name(4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate
SMILESCCN(CCCCCCOC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1)CCOC
InChIInChI=1S/C25H41ClN2O4/c1-4-28(18-20-30-3)17-7-5-6-8-19-31-23-15-11-22(12-16-23)27(2)25(29)32-24-13-9-21(26)10-14-24/h9-10,13-14,22-23H,4-8,11-12,15-20H2,1-3H3
InChIKeyRDAWIJPGAICSQM-UHFFFAOYSA-N
XLogP5.63
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.07
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]carbamate
CID 70021465
(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexyl]carbamate
CID 69194947
[4-(trifluoromethyl)phenyl] N-[4-[4-(dimethoxyamino)butoxy]cyclohexyl]-N-methylcarbamate
CID 139983013
(4-chlorophenyl) N-[4-[5-(dimethylamino)pentyl]cyclohexyl]-N-methylcarbamate
CID 69196917
(3,4-difluorophenyl) N-[4-[5-[ethyl(2-hydroxyethyl)amino]pentyl]cyclohexyl]-N-methylcarbamate
CID 69195987
(4-chlorophenyl) N-[4-[4-(dimethylamino)but-1-ynyl]cyclohexyl]-N-methylcarbamate
CID 69196484
(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(propyl)amino]prop-1-ynyl]cyclohexyl]carbamate
CID 10270911
(4-bromophenyl) N-methyl-N-[4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexyl]carbamate
CID 69194887
N-[4-[3-[ethyl(2-methoxyethyl)amino]propoxy]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 22567635
(4-chlorophenyl) N-methyl-N-[4-[3-[methyl(prop-2-enyl)amino]propoxymethyl]cyclohexyl]carbamate
CID 69197969
(4-chlorophenyl) N-methyl-N-[4-[4-[methyl(prop-2-enyl)amino]but-1-ynyl]cyclohexyl]carbamate
CID 69195206
4-chloro-N-methyl-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzenesulfonamide
CID 70022140

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate?
The IUPAC name of (4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate (CID 69194852) is (4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for (4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate?
The canonical SMILES for (4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate is CCN(CCCCCCOC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1)CCOC.
What is the InChIKey of (4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate?
The InChIKey is RDAWIJPGAICSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41ClN2O4/c1-4-28(18-20-30-3)17-7-5-6-8-19-31-23-15-11-22(12-16-23)27(2)25(29)32-24-13-9-21(26)10-14-24/h9-10,13-14,22-23H,4-8,11-12,15-20H2,1-3H3.
What are the key properties of (4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate?
(4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate has a molecular weight of 469.07 g/mol, XLogP of 5.63, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) N-[4-[6-[ethyl(2-methoxyethyl)amino]hexoxy]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 69194852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).