2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide

C21H31NO2 — CID 142798976

IUPAC2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide
SMILESCOc1ccc(C2CCC(C(C(N)=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C21H31NO2/c1-24-19-13-11-16(12-14-19)15-7-9-18(10-8-15)20(21(22)23)17-5-3-2-4-6-17/h11-15,17-18,20H,2-10H2,1H3,(H2,22,23)
InChIKeyHAEINZHUMDHOIM-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.65
Rot. Bonds5

About 2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide

2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide (PubChem CID 142798976) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide
PubChem CID142798976
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide
SMILESCOc1ccc(C2CCC(C(C(N)=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C21H31NO2/c1-24-19-13-11-16(12-14-19)15-7-9-18(10-8-15)20(21(22)23)17-5-3-2-4-6-17/h11-15,17-18,20H,2-10H2,1H3,(H2,22,23)
InChIKeyHAEINZHUMDHOIM-UHFFFAOYSA-N
XLogP4.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
1-[4-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 126586754
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
[4-(4-methoxyphenyl)cyclohexyl]-phenylmethanamine
CID 24738284
1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine
CID 126539512
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145272
[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate
CID 143710570
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 119322388
N-[3-(4-methoxyphenyl)cyclobutyl]cyclooctanamine
CID 43633186

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide?
The IUPAC name of 2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide (CID 142798976) is 2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide?
The canonical SMILES for 2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide is COc1ccc(C2CCC(C(C(N)=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of 2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide?
The InChIKey is HAEINZHUMDHOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-24-19-13-11-16(12-14-19)15-7-9-18(10-8-15)20(21(22)23)17-5-3-2-4-6-17/h11-15,17-18,20H,2-10H2,1H3,(H2,22,23).
What are the key properties of 2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide?
2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide has a molecular weight of 329.48 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide is sourced from PubChem (CID 142798976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).