2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide

C18H27NO4 — CID 8808315

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N[C@@H](C)CCC(C)C
InChIInChI=1S/C18H27NO4/c1-12(2)6-7-13(3)19-18(21)11-23-16-9-8-15(14(4)20)10-17(16)22-5/h8-10,12-13H,6-7,11H2,1-5H3,(H,19,21)/t13-/m0/s1
InChIKeyXJIYISXFXOAVHF-ZDUSSCGKSA-N
MW321.42 g/mol
LogP3.22
Rot. Bonds9

About 2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide (PubChem CID 8808315) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
PubChem CID8808315
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)N[C@@H](C)CCC(C)C
InChIInChI=1S/C18H27NO4/c1-12(2)6-7-13(3)19-18(21)11-23-16-9-8-15(14(4)20)10-17(16)22-5/h8-10,12-13H,6-7,11H2,1-5H3,(H,19,21)/t13-/m0/s1
InChIKeyXJIYISXFXOAVHF-ZDUSSCGKSA-N
XLogP3.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8808309
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902728
2-(4-acetyl-2-methoxyphenoxy)-N-(2,2-dimethyl-1-phenylpropyl)acetamide
CID 55643256
2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55894242
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate
CID 17438151
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
2-(4-acetyl-2-methoxyphenoxy)-N-[(4-ethoxyphenyl)-phenylmethyl]acetamide
CID 55659284
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8582263
2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
CID 24708758

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide (CID 8808315) is 2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)N[C@@H](C)CCC(C)C.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide?
The InChIKey is XJIYISXFXOAVHF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27NO4/c1-12(2)6-7-13(3)19-18(21)11-23-16-9-8-15(14(4)20)10-17(16)22-5/h8-10,12-13H,6-7,11H2,1-5H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide is sourced from PubChem (CID 8808315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).