2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide

C19H23NO2 — CID 133144199

IUPAC2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-5-17(22-18-13-9-10-14(2)15(18)3)19(21)20(4)16-11-7-6-8-12-16/h6-13,17H,5H2,1-4H3
InChIKeyARTPTICSDNPIPZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.12
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide

2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide (PubChem CID 133144199) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide
PubChem CID133144199
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-5-17(22-18-13-9-10-14(2)15(18)3)19(21)20(4)16-11-7-6-8-12-16/h6-13,17H,5H2,1-4H3
InChIKeyARTPTICSDNPIPZ-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide
CID 99952134
(2R)-N-methyl-2-naphthalen-1-yloxy-N-phenylbutanamide
CID 38017332
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
N,N-dibenzyl-2-(2-methylphenoxy)butanamide
CID 43916295
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide
CID 30383764
(2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 93488233
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
2-(2,3-dimethylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 46772607
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 28631292
(2S)-1-(4-benzhydrylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)butan-1-one
CID 92685129

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide (CID 133144199) is 2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide is CCC(Oc1cccc(C)c1C)C(=O)N(C)c1ccccc1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide?
The InChIKey is ARTPTICSDNPIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-17(22-18-13-9-10-14(2)15(18)3)19(21)20(4)16-11-7-6-8-12-16/h6-13,17H,5H2,1-4H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide?
2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide has a molecular weight of 297.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-methyl-N-phenylbutanamide is sourced from PubChem (CID 133144199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).