2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide

C20H25NO2 — CID 46770326

IUPAC2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H25NO2/c1-6-17(23-18-12-8-9-13(2)16(18)5)20(22)21-19-14(3)10-7-11-15(19)4/h7-12,17H,6H2,1-5H3,(H,21,22)
InChIKeyUTBJZHFWGHNJQC-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.72
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide

2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide (PubChem CID 46770326) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
PubChem CID46770326
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H25NO2/c1-6-17(23-18-12-8-9-13(2)16(18)5)20(22)21-19-14(3)10-7-11-15(19)4/h7-12,17H,6H2,1-5H3,(H,21,22)
InChIKeyUTBJZHFWGHNJQC-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885352
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885937
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 28958403
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide (CID 46770326) is 2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide is CCC(Oc1cccc(C)c1C)C(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide?
The InChIKey is UTBJZHFWGHNJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-6-17(23-18-12-8-9-13(2)16(18)5)20(22)21-19-14(3)10-7-11-15(19)4/h7-12,17H,6H2,1-5H3,(H,21,22).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide?
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide is sourced from PubChem (CID 46770326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).