2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide

C19H23NO2 — CID 46761712

IUPAC2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)Oc2c(C)cccc2C)cc1
InChIInChI=1S/C19H23NO2/c1-13-8-10-17(11-9-13)12-20-19(21)16(4)22-18-14(2)6-5-7-15(18)3/h5-11,16H,12H2,1-4H3,(H,20,21)
InChIKeyQPPBMNRUHVBZBN-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.70
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide

2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 46761712) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID46761712
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)C(C)Oc2c(C)cccc2C)cc1
InChIInChI=1S/C19H23NO2/c1-13-8-10-17(11-9-13)12-20-19(21)16(4)22-18-14(2)6-5-7-15(18)3/h5-11,16H,12H2,1-4H3,(H,20,21)
InChIKeyQPPBMNRUHVBZBN-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234
2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737930
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
(2R)-2-(2,6-dimethylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 9297891

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide (CID 46761712) is 2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)C(C)Oc2c(C)cccc2C)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is QPPBMNRUHVBZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-8-10-17(11-9-13)12-20-19(21)16(4)22-18-14(2)6-5-7-15(18)3/h5-11,16H,12H2,1-4H3,(H,20,21).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide?
2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 46761712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).