2-(3,4-dimethylphenoxy)-N-ethylbutanamide

C14H21NO2 — CID 43916377

IUPAC2-(3,4-dimethylphenoxy)-N-ethylbutanamide
SMILESCCNC(=O)C(CC)Oc1ccc(C)c(C)c1
InChIInChI=1S/C14H21NO2/c1-5-13(14(16)15-6-2)17-12-8-7-10(3)11(4)9-12/h7-9,13H,5-6H2,1-4H3,(H,15,16)
InChIKeyNLLMGYWNEWOWFL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.60
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-ethylbutanamide

2-(3,4-dimethylphenoxy)-N-ethylbutanamide (PubChem CID 43916377) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-ethylbutanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-ethylbutanamide
PubChem CID43916377
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(3,4-dimethylphenoxy)-N-ethylbutanamide
SMILESCCNC(=O)C(CC)Oc1ccc(C)c(C)c1
InChIInChI=1S/C14H21NO2/c1-5-13(14(16)15-6-2)17-12-8-7-10(3)11(4)9-12/h7-9,13H,5-6H2,1-4H3,(H,15,16)
InChIKeyNLLMGYWNEWOWFL-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683627
(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683628
1-[2-(3,4-dimethylphenoxy)butanoylamino]-3-ethylthiourea
CID 4503397
(2S)-2-(3,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 94016048
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
(2S)-2-(3,4-dimethylphenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 94019548
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354
(2R)-2-(3,4-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569042
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
2-(3,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)butanamide
CID 53284429

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-ethylbutanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-ethylbutanamide (CID 43916377) is 2-(3,4-dimethylphenoxy)-N-ethylbutanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-ethylbutanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-ethylbutanamide is CCNC(=O)C(CC)Oc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-ethylbutanamide?
The InChIKey is NLLMGYWNEWOWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-13(14(16)15-6-2)17-12-8-7-10(3)11(4)9-12/h7-9,13H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-ethylbutanamide?
2-(3,4-dimethylphenoxy)-N-ethylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-ethylbutanamide is sourced from PubChem (CID 43916377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).