N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide

C17H19NO3 — CID 60653440

IUPACN-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2CO)cc1
InChIInChI=1S/C17H19NO3/c1-12-7-9-15(10-8-12)21-13(2)17(20)18-16-6-4-3-5-14(16)11-19/h3-10,13,19H,11H2,1-2H3,(H,18,20)
InChIKeyOGBKEKKPSJERAS-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide

N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide (PubChem CID 60653440) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
PubChem CID60653440
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccccc2CO)cc1
InChIInChI=1S/C17H19NO3/c1-12-7-9-15(10-8-12)21-13(2)17(20)18-16-6-4-3-5-14(16)11-19/h3-10,13,19H,11H2,1-2H3,(H,18,20)
InChIKeyOGBKEKKPSJERAS-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-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 119439866
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
2-(3-fluorophenoxy)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497915
N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17087052
2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760564
2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 18196102
2-(4-methylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 43024969
N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide
CID 17320785
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide (CID 60653440) is N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccccc2CO)cc1.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is OGBKEKKPSJERAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-7-9-15(10-8-12)21-13(2)17(20)18-16-6-4-3-5-14(16)11-19/h3-10,13,19H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide?
N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide 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 N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 60653440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).