2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide

C15H23NO4 — CID 78946946

IUPAC2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cc(C)ccc1[C@H](C)O
InChIInChI=1S/C15H23NO4/c1-10-5-6-13(11(2)17)14(9-10)20-12(3)15(18)16-7-8-19-4/h5-6,9,11-12,17H,7-8H2,1-4H3,(H,16,18)/t11-,12?/m0/s1
InChIKeyZXRJAMZOMYXTEY-PXYINDEMSA-N
MW281.35 g/mol
LogP1.58
Rot. Bonds7

About 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide

2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide (PubChem CID 78946946) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide
PubChem CID78946946
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cc(C)ccc1[C@H](C)O
InChIInChI=1S/C15H23NO4/c1-10-5-6-13(11(2)17)14(9-10)20-12(3)15(18)16-7-8-19-4/h5-6,9,11-12,17H,7-8H2,1-4H3,(H,16,18)/t11-,12?/m0/s1
InChIKeyZXRJAMZOMYXTEY-PXYINDEMSA-N
XLogP1.58
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 63650006
2-[2-(1-hydroxyethyl)-5-methoxyphenoxy]-N-(2-methoxyethyl)propanamide
CID 82003316
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 63651716
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 78946961
2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61313403
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
N-[2-(4-methoxyphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133234660
N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650613
2-[2-(1-aminoethyl)-5-bromophenoxy]-N-(2-methoxyethyl)propanamide
CID 102946475
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 94180255
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
CID 43505240
2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide
CID 63639602

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide (CID 78946946) is 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1cc(C)ccc1[C@H](C)O.
What is the InChIKey of 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide?
The InChIKey is ZXRJAMZOMYXTEY-PXYINDEMSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10-5-6-13(11(2)17)14(9-10)20-12(3)15(18)16-7-8-19-4/h5-6,9,11-12,17H,7-8H2,1-4H3,(H,16,18)/t11-,12?/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide?
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide has a molecular weight of 281.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 78946946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).