2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide

C15H23NO3 — CID 78931758

IUPAC2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccccc1[C@H](C)O
InChIInChI=1S/C15H23NO3/c1-10(2)9-16-15(18)12(4)19-14-8-6-5-7-13(14)11(3)17/h5-8,10-12,17H,9H2,1-4H3,(H,16,18)/t11-,12?/m0/s1
InChIKeyVOWWEJGXQJRWOG-PXYINDEMSA-N
MW265.35 g/mol
LogP2.28
Rot. Bonds6

About 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide

2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 78931758) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide
PubChem CID78931758
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccccc1[C@H](C)O
InChIInChI=1S/C15H23NO3/c1-10(2)9-16-15(18)12(4)19-14-8-6-5-7-13(14)11(3)17/h5-8,10-12,17H,9H2,1-4H3,(H,16,18)/t11-,12?/m0/s1
InChIKeyVOWWEJGXQJRWOG-PXYINDEMSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 55189875
N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63364873
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43277159
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 60907094
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanoate
CID 78931073
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 60879566
N-(2-methylpropyl)-2-[2-(2-propan-2-ylphenoxy)propanoylamino]benzamide
CID 43875587
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771605
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 43609241

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide (CID 78931758) is 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Oc1ccccc1[C@H](C)O.
What is the InChIKey of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is VOWWEJGXQJRWOG-PXYINDEMSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)9-16-15(18)12(4)19-14-8-6-5-7-13(14)11(3)17/h5-8,10-12,17H,9H2,1-4H3,(H,16,18)/t11-,12?/m0/s1.
What are the key properties of 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide?
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 265.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 78931758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).