(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide

C15H21NO4 — CID 32886949

IUPAC(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide
SMILESCOc1ccc(C(C)=O)c(O[C@@H](C)C(=O)NC(C)C)c1
InChIInChI=1S/C15H21NO4/c1-9(2)16-15(18)11(4)20-14-8-12(19-5)6-7-13(14)10(3)17/h6-9,11H,1-5H3,(H,16,18)/t11-/m0/s1
InChIKeyYZHAIIFJKRRBBY-NSHDSACASA-N
MW279.34 g/mol
LogP2.19
Rot. Bonds6

About (2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide

(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide (PubChem CID 32886949) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide
PubChem CID32886949
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide
SMILESCOc1ccc(C(C)=O)c(O[C@@H](C)C(=O)NC(C)C)c1
InChIInChI=1S/C15H21NO4/c1-9(2)16-15(18)11(4)20-14-8-12(19-5)6-7-13(14)10(3)17/h6-9,11H,1-5H3,(H,16,18)/t11-/m0/s1
InChIKeyYZHAIIFJKRRBBY-NSHDSACASA-N
XLogP2.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 115279935
2-(2-acetyl-5-methoxyphenoxy)-N-cyclopropylpropanamide
CID 78906259
2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 102702350
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 61267389
2-(2-acetyl-5-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51233960
ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate
CID 15267098
1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
CID 82001376
(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate
CID 15365306
2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 55048004
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501
methyl 4-methoxy-2-[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]oxybenzoate
CID 26563881
5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43267774

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide (CID 32886949) is (2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide is COc1ccc(C(C)=O)c(O[C@@H](C)C(=O)NC(C)C)c1.
What is the InChIKey of (2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is YZHAIIFJKRRBBY-NSHDSACASA-N. The full InChI is InChI=1S/C15H21NO4/c1-9(2)16-15(18)11(4)20-14-8-12(19-5)6-7-13(14)10(3)17/h6-9,11H,1-5H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide?
(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 32886949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).