2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide

C18H25NO3 — CID 25436323

IUPAC2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESCC(=O)c1ccc(C)cc1OCC(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C18H25NO3/c1-12-8-9-15(14(3)20)17(10-12)22-11-18(21)19-16-7-5-4-6-13(16)2/h8-10,13,16H,4-7,11H2,1-3H3,(H,19,21)/t13-,16+/m0/s1
InChIKeyMHOSFFQMKRGNRB-XJKSGUPXSA-N
MW303.40 g/mol
LogP3.27
Rot. Bonds5

About 2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide

2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 25436323) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID25436323
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESCC(=O)c1ccc(C)cc1OCC(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C18H25NO3/c1-12-8-9-15(14(3)20)17(10-12)22-11-18(21)19-16-7-5-4-6-13(16)2/h8-10,13,16H,4-7,11H2,1-3H3,(H,19,21)/t13-,16+/m0/s1
InChIKeyMHOSFFQMKRGNRB-XJKSGUPXSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46786987
N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8561598
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570406
2-(3,5-dimethylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2712790
2-(3,5-dimethylphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2712787
N-[(1R,2R)-2-methylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9404813
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712
2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956953
2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7917105
2-(2-acetyl-4,6-dichlorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7917107
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 25436323) is 2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide is CC(=O)c1ccc(C)cc1OCC(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of 2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is MHOSFFQMKRGNRB-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12-8-9-15(14(3)20)17(10-12)22-11-18(21)19-16-7-5-4-6-13(16)2/h8-10,13,16H,4-7,11H2,1-3H3,(H,19,21)/t13-,16+/m0/s1.
What are the key properties of 2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 25436323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).