2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide

C17H26N2O3 — CID 9018049

IUPAC2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N[C@@H](C)CCC(C)C
InChIInChI=1S/C17H26N2O3/c1-12(2)9-10-13(3)18-17(21)11-22-16-8-6-5-7-15(16)19-14(4)20/h5-8,12-13H,9-11H2,1-4H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyKHDUMXPMAAWCNF-ZDUSSCGKSA-N
MW306.41 g/mol
LogP2.96
Rot. Bonds8

About 2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide

2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide (PubChem CID 9018049) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
PubChem CID9018049
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N[C@@H](C)CCC(C)C
InChIInChI=1S/C17H26N2O3/c1-12(2)9-10-13(3)18-17(21)11-22-16-8-6-5-7-15(16)19-14(4)20/h5-8,12-13H,9-11H2,1-4H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyKHDUMXPMAAWCNF-ZDUSSCGKSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 9018570
2-(2-acetamidophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 17401958
2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7867259
2-(2-acetamidophenoxy)-N-(2-ethylphenyl)acetamide
CID 7867330
2-(2-acetamidophenoxy)-N-prop-2-ynylacetamide
CID 9017984
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 39086763
2-(2-acetamidophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 2566695
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
2-(4-acetyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8808315
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7867252
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide?
The IUPAC name of 2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide (CID 9018049) is 2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide.
What is the SMILES notation for 2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide?
The canonical SMILES for 2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide is CC(=O)Nc1ccccc1OCC(=O)N[C@@H](C)CCC(C)C.
What is the InChIKey of 2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide?
The InChIKey is KHDUMXPMAAWCNF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)9-10-13(3)18-17(21)11-22-16-8-6-5-7-15(16)19-14(4)20/h5-8,12-13H,9-11H2,1-4H3,(H,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of 2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide?
2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide is sourced from PubChem (CID 9018049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).