2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide

C22H33NO3 — CID 18117011

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cc2cc(C(C)=O)ccc2OC)CC1
InChIInChI=1S/C22H33NO3/c1-6-22(3,4)18-8-10-19(11-9-18)23-21(25)14-17-13-16(15(2)24)7-12-20(17)26-5/h7,12-13,18-19H,6,8-11,14H2,1-5H3,(H,23,25)
InChIKeyOPJGFHIOKLMKEJ-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.55
Rot. Bonds7

About 2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide

2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide (PubChem CID 18117011) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
PubChem CID18117011
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)Cc2cc(C(C)=O)ccc2OC)CC1
InChIInChI=1S/C22H33NO3/c1-6-22(3,4)18-8-10-19(11-9-18)23-21(25)14-17-13-16(15(2)24)7-12-20(17)26-5/h7,12-13,18-19H,6,8-11,14H2,1-5H3,(H,23,25)
InChIKeyOPJGFHIOKLMKEJ-UHFFFAOYSA-N
XLogP4.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531905
2-(5-acetyl-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385762
2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 78809941
2-(5-acetyl-2-methoxyphenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147803
4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 33295122
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
4-fluoro-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 27886797
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide
CID 119612751
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
CID 63965306

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide (CID 18117011) is 2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide is CCC(C)(C)C1CCC(NC(=O)Cc2cc(C(C)=O)ccc2OC)CC1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
The InChIKey is OPJGFHIOKLMKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3/c1-6-22(3,4)18-8-10-19(11-9-18)23-21(25)14-17-13-16(15(2)24)7-12-20(17)26-5/h7,12-13,18-19H,6,8-11,14H2,1-5H3,(H,23,25).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide has a molecular weight of 359.51 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 18117011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).