2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide

C24H31ClN2O2 — CID 11676011

IUPAC2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
SMILESCc1cccc(CC2(N(C)C)CCC(NC(=O)COc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C24H31ClN2O2/c1-18-6-4-7-19(14-18)16-24(27(2)3)12-10-21(11-13-24)26-23(28)17-29-22-9-5-8-20(25)15-22/h4-9,14-15,21H,10-13,16-17H2,1-3H3,(H,26,28)
InChIKeyVFNNBNRYSJGXPZ-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.63
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide

2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide (PubChem CID 11676011) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
PubChem CID11676011
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
SMILESCc1cccc(CC2(N(C)C)CCC(NC(=O)COc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C24H31ClN2O2/c1-18-6-4-7-19(14-18)16-24(27(2)3)12-10-21(11-13-24)26-23(28)17-29-22-9-5-8-20(25)15-22/h4-9,14-15,21H,10-13,16-17H2,1-3H3,(H,26,28)
InChIKeyVFNNBNRYSJGXPZ-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.63
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
N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide
CID 91455018
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide
CID 11560885
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]acetamide;[2-[[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]amino]-2-oxo-1-phenylethyl] acetate
CID 159039456
2-(3-chlorophenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43388716
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
2-benzylsulfanyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11704258
4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810176
N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[(4-methoxyphenyl)methyl]butanediamide
CID 11634099
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide
CID 66621500

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide (CID 11676011) is 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide is Cc1cccc(CC2(N(C)C)CCC(NC(=O)COc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide?
The InChIKey is VFNNBNRYSJGXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-18-6-4-7-19(14-18)16-24(27(2)3)12-10-21(11-13-24)26-23(28)17-29-22-9-5-8-20(25)15-22/h4-9,14-15,21H,10-13,16-17H2,1-3H3,(H,26,28).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide?
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide has a molecular weight of 414.98 g/mol, XLogP of 4.63, 7 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-[(3-methylphenyl)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 11676011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).