2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide

C21H21NO2 — CID 133218956

IUPAC2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2cccc3ccccc23)c1
InChIInChI=1S/C21H21NO2/c1-15-7-5-11-19(13-15)24-16(2)21(23)22-14-18-10-6-9-17-8-3-4-12-20(17)18/h3-13,16H,14H2,1-2H3,(H,22,23)
InChIKeyUDNILDLCGCPRHG-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.23
Rot. Bonds5

About 2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide

2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide (PubChem CID 133218956) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
PubChem CID133218956
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2cccc3ccccc23)c1
InChIInChI=1S/C21H21NO2/c1-15-7-5-11-19(13-15)24-16(2)21(23)22-14-18-10-6-9-17-8-3-4-12-20(17)18/h3-13,16H,14H2,1-2H3,(H,22,23)
InChIKeyUDNILDLCGCPRHG-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 6915501
2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133217264
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 92679385
2-(3-methylphenoxy)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24554461
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218986
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-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide
CID 75455498
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 92675979

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide (CID 133218956) is 2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide is Cc1cccc(OC(C)C(=O)NCc2cccc3ccccc23)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide?
The InChIKey is UDNILDLCGCPRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15-7-5-11-19(13-15)24-16(2)21(23)22-14-18-10-6-9-17-8-3-4-12-20(17)18/h3-13,16H,14H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide?
2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide has a molecular weight of 319.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide is sourced from PubChem (CID 133218956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).