N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide

C18H21NO3 — CID 110909100

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2ccccc2CO)c1
InChIInChI=1S/C18H21NO3/c1-13-6-5-9-17(10-13)22-14(2)18(21)19-11-15-7-3-4-8-16(15)12-20/h3-10,14,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyBFYFOPWCZOWMMO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.57
Rot. Bonds6

About N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide

N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide (PubChem CID 110909100) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
PubChem CID110909100
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2ccccc2CO)c1
InChIInChI=1S/C18H21NO3/c1-13-6-5-9-17(10-13)22-14(2)18(21)19-11-15-7-3-4-8-16(15)12-20/h3-10,14,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyBFYFOPWCZOWMMO-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218956
N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 6915501
2-(3-methylphenoxy)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24554461
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 92679385
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium
CID 9194529
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide
CID 75455498
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 92675979

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide (CID 110909100) is N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NCc2ccccc2CO)c1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is BFYFOPWCZOWMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-6-5-9-17(10-13)22-14(2)18(21)19-11-15-7-3-4-8-16(15)12-20/h3-10,14,20H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 299.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 110909100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).