N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide

C13H19NO4 — CID 114078989

IUPACN-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide
SMILESCOCC(CO)NC(=O)COc1ccccc1C
InChIInChI=1S/C13H19NO4/c1-10-5-3-4-6-12(10)18-9-13(16)14-11(7-15)8-17-2/h3-6,11,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyFPXULVWAGRQGAT-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.50
Rot. Bonds7

About N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide

N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 114078989) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide
PubChem CID114078989
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide
SMILESCOCC(CO)NC(=O)COc1ccccc1C
InChIInChI=1S/C13H19NO4/c1-10-5-3-4-6-12(10)18-9-13(16)14-11(7-15)8-17-2/h3-6,11,15H,7-9H2,1-2H3,(H,14,16)
InChIKeyFPXULVWAGRQGAT-UHFFFAOYSA-N
XLogP0.50
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenoxy)propanamide
CID 104981198
(2S)-4-hydroxy-2-[[2-(2-methylphenoxy)acetyl]amino]butanoic acid
CID 114004863
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
2-(4-bromo-3-methylphenoxy)-N-[(2S)-1-hydroxy-3-methoxypropan-2-yl]acetamide
CID 166254452
(2S)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157045
(2R)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157049
N-(1,3-dihydroxypropan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 65315716
2-(2,3-dimethylphenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 132651176
(2S)-3-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
CID 9157397
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]-2-(2-methylphenoxy)acetamide
CID 51673879
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide (CID 114078989) is N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide is COCC(CO)NC(=O)COc1ccccc1C.
What is the InChIKey of N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is FPXULVWAGRQGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10-5-3-4-6-12(10)18-9-13(16)14-11(7-15)8-17-2/h3-6,11,15H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide?
N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methoxypropan-2-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 114078989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).