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

C24H31ClN2O2 — CID 11546132

IUPAC2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide
SMILESCN(C)C1(CCc2ccccc2)CCC(NC(=O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C24H31ClN2O2/c1-27(2)24(14-11-19-7-4-3-5-8-19)15-12-21(13-16-24)26-23(28)18-29-22-10-6-9-20(25)17-22/h3-10,17,21H,11-16,18H2,1-2H3,(H,26,28)
InChIKeyCQLVAECGLDERDV-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.71
Rot. Bonds8

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

2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide (PubChem CID 11546132) 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-(2-phenylethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide
PubChem CID11546132
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide
SMILESCN(C)C1(CCc2ccccc2)CCC(NC(=O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C24H31ClN2O2/c1-27(2)24(14-11-19-7-4-3-5-8-19)15-12-21(13-16-24)26-23(28)18-29-22-10-6-9-20(25)17-22/h3-10,17,21H,11-16,18H2,1-2H3,(H,26,28)
InChIKeyCQLVAECGLDERDV-UHFFFAOYSA-N
XLogP4.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11676011
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-phenylcyclohexyl]acetamide
CID 11560885
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-(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-[[2-(3-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylbutanamide
CID 132612029
5-benzyl-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]furan-2-carboxamide
CID 11633375
N'-benzyl-N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N'-methylbutanediamide
CID 66621119
N-[2-(4-chlorophenyl)ethyl]-N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]butanediamide
CID 66621254
2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 54930762
N-cyclohexyl-2-(3-ethylphenoxy)acetamide
CID 731769

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide (CID 11546132) is 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide is CN(C)C1(CCc2ccccc2)CCC(NC(=O)COc2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide?
The InChIKey is CQLVAECGLDERDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-27(2)24(14-11-19-7-4-3-5-8-19)15-12-21(13-16-24)26-23(28)18-29-22-10-6-9-20(25)17-22/h3-10,17,21H,11-16,18H2,1-2H3,(H,26,28).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide?
2-(3-chlorophenoxy)-N-[4-(dimethylamino)-4-(2-phenylethyl)cyclohexyl]acetamide has a molecular weight of 414.98 g/mol, XLogP of 4.71, 8 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-(2-phenylethyl)cyclohexyl]acetamide is sourced from PubChem (CID 11546132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).