3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide

C19H23NO3 — CID 110931199

IUPAC3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC(CO)c2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-14-10-15(2)12-17(11-14)23-9-8-19(22)20-18(13-21)16-6-4-3-5-7-16/h3-7,10-12,18,21H,8-9,13H2,1-2H3,(H,20,22)
InChIKeyAPEVXRLZBHSDKU-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.92
Rot. Bonds7

About 3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide

3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide (PubChem CID 110931199) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
PubChem CID110931199
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC(CO)c2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-14-10-15(2)12-17(11-14)23-9-8-19(22)20-18(13-21)16-6-4-3-5-7-16/h3-7,10-12,18,21H,8-9,13H2,1-2H3,(H,20,22)
InChIKeyAPEVXRLZBHSDKU-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 134048419
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide
CID 114300023
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
CID 110001835
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
2-cyclopropyl-2-[3-(3,5-dimethylphenoxy)propanoylamino]acetic acid
CID 62695722
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103798968
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide (CID 110931199) is 3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide is Cc1cc(C)cc(OCCC(=O)NC(CO)c2ccccc2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide?
The InChIKey is APEVXRLZBHSDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-10-15(2)12-17(11-14)23-9-8-19(22)20-18(13-21)16-6-4-3-5-7-16/h3-7,10-12,18,21H,8-9,13H2,1-2H3,(H,20,22).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide?
3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-phenylethyl)propanamide is sourced from PubChem (CID 110931199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).