2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide

C22H27ClN2O2 — CID 11560885

IUPAC2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC(NC(=O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN2O2/c1-25(2)22(17-7-4-3-5-8-17)13-11-19(12-14-22)24-21(26)16-27-20-10-6-9-18(23)15-20/h3-10,15,19H,11-14,16H2,1-2H3,(H,24,26)
InChIKeyQKOQLQWBLLMNHW-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.23
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide

2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide (PubChem CID 11560885) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide
PubChem CID11560885
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC(NC(=O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN2O2/c1-25(2)22(17-7-4-3-5-8-17)13-11-19(12-14-22)24-21(26)16-27-20-10-6-9-18(23)15-20/h3-10,15,19H,11-14,16H2,1-2H3,(H,24,26)
InChIKeyQKOQLQWBLLMNHW-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide
CID 11546132
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11676011
4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810176
2-(3-chlorophenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43388716
2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990
2-(3-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8937450
N-(azetidin-3-yl)-2-(3-chlorophenoxy)-N-methylacetamide
CID 66185919
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3-chlorophenoxy)acetamide
CID 98737694
N-cyclopropyl-2-[3-[[[N'-methyl-N-[(1-phenylcyclopropyl)methyl]carbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111856724
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803774

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide (CID 11560885) is 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide is CN(C)C1(c2ccccc2)CCC(NC(=O)COc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide?
The InChIKey is QKOQLQWBLLMNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-25(2)22(17-7-4-3-5-8-17)13-11-19(12-14-22)24-21(26)16-27-20-10-6-9-18(23)15-20/h3-10,15,19H,11-14,16H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide?
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide has a molecular weight of 386.92 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide is sourced from PubChem (CID 11560885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).