2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide

C16H23ClN2O2 — CID 79117952

IUPAC2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
SMILESCNC1CCC(N(C)C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O2/c1-18-13-5-7-14(8-6-13)19(2)16(20)11-21-15-9-3-12(17)4-10-15/h3-4,9-10,13-14,18H,5-8,11H2,1-2H3
InChIKeyCDIFZVIMNQLPLJ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.71
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide

2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide (PubChem CID 79117952) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
PubChem CID79117952
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
SMILESCNC1CCC(N(C)C(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O2/c1-18-13-5-7-14(8-6-13)19(2)16(20)11-21-15-9-3-12(17)4-10-15/h3-4,9-10,13-14,18H,5-8,11H2,1-2H3
InChIKeyCDIFZVIMNQLPLJ-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
2-(4-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7259855
[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]-methylamino]cyclohexyl]carbamic acid
CID 155254242
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
N-cyclopropyl-N-methyl-2-[4-[1-(methylamino)propyl]phenoxy]acetamide
CID 61488716
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 78936986
N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 60749452
N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
CID 102638440
N-cyclopentyl-2-(3,4-dichlorophenoxy)-N-methylacetamide
CID 112818677
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide (CID 79117952) is 2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide is CNC1CCC(N(C)C(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide?
The InChIKey is CDIFZVIMNQLPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-18-13-5-7-14(8-6-13)19(2)16(20)11-21-15-9-3-12(17)4-10-15/h3-4,9-10,13-14,18H,5-8,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide?
2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide has a molecular weight of 310.82 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 79117952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).