2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide

C17H19NO3 — CID 63325502

IUPAC2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2)c(CO)c1
InChIInChI=1S/C17H19NO3/c1-12-8-9-16(14(10-12)11-19)21-13(2)17(20)18-15-6-4-3-5-7-15/h3-10,13,19H,11H2,1-2H3,(H,18,20)
InChIKeyKOOXSQHCAVCKKQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.89
Rot. Bonds5

About 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide

2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide (PubChem CID 63325502) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide
PubChem CID63325502
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2)c(CO)c1
InChIInChI=1S/C17H19NO3/c1-12-8-9-16(14(10-12)11-19)21-13(2)17(20)18-15-6-4-3-5-7-15/h3-10,13,19H,11H2,1-2H3,(H,18,20)
InChIKeyKOOXSQHCAVCKKQ-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63325105
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide
CID 115956267
2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980902
(2S)-2-(2,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 9296809

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide (CID 63325502) is 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide is Cc1ccc(OC(C)C(=O)Nc2ccccc2)c(CO)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide?
The InChIKey is KOOXSQHCAVCKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-8-9-16(14(10-12)11-19)21-13(2)17(20)18-15-6-4-3-5-7-15/h3-10,13,19H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide?
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide has a molecular weight of 285.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide is sourced from PubChem (CID 63325502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).