3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide

C12H17NO3 — CID 63365492

IUPAC3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1cccc([C@@H](C)O)c1
InChIInChI=1S/C12H17NO3/c1-9(14)10-4-3-5-11(8-10)16-7-6-12(15)13-2/h3-5,8-9,14H,6-7H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyWFZQIHKKBVAGIZ-SECBINFHSA-N
MW223.27 g/mol
LogP1.25
Rot. Bonds5

About 3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide

3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide (PubChem CID 63365492) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
PubChem CID63365492
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1cccc([C@@H](C)O)c1
InChIInChI=1S/C12H17NO3/c1-9(14)10-4-3-5-11(8-10)16-7-6-12(15)13-2/h3-5,8-9,14H,6-7H2,1-2H3,(H,13,15)/t9-/m1/s1
InChIKeyWFZQIHKKBVAGIZ-SECBINFHSA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide
CID 62627215
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methylbutanamide
CID 78953849
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide
CID 55190813
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
N-carbamoyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78934402
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide (CID 63365492) is 3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide is CNC(=O)CCOc1cccc([C@@H](C)O)c1.
What is the InChIKey of 3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide?
The InChIKey is WFZQIHKKBVAGIZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(14)10-4-3-5-11(8-10)16-7-6-12(15)13-2/h3-5,8-9,14H,6-7H2,1-2H3,(H,13,15)/t9-/m1/s1.
What are the key properties of 3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide?
3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide has a molecular weight of 223.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 63365492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).