4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide

C13H20N2O2 — CID 63040857

IUPAC4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide
SMILESCNC(CCOc1cc(C)cc(C)c1)C(N)=O
InChIInChI=1S/C13H20N2O2/c1-9-6-10(2)8-11(7-9)17-5-4-12(15-3)13(14)16/h6-8,12,15H,4-5H2,1-3H3,(H2,14,16)
InChIKeyWLLJLSFCCZLCNU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.15
Rot. Bonds6

About 4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide

4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide (PubChem CID 63040857) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide
PubChem CID63040857
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide
SMILESCNC(CCOc1cc(C)cc(C)c1)C(N)=O
InChIInChI=1S/C13H20N2O2/c1-9-6-10(2)8-11(7-9)17-5-4-12(15-3)13(14)16/h6-8,12,15H,4-5H2,1-3H3,(H2,14,16)
InChIKeyWLLJLSFCCZLCNU-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide
CID 55143007
4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide
CID 107170389
4-(3,5-dimethylphenoxy)-2-(ethylamino)butanoic acid
CID 55143577
methyl 2-amino-4-(3,5-dimethylphenoxy)butanoate
CID 63041209
4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide
CID 63984622
2-(methylamino)-4-(4-methyl-2-nitrophenoxy)butanamide
CID 55144333
methyl 4-(3,5-difluorophenoxy)-2-(methylamino)butanoate
CID 63033556
2-(methylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 55145298
1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol
CID 112508033
methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]acetic acid
CID 43091595
diethyl 2-[3-(3,5-dimethylphenoxy)propyl]propanedioate
CID 2843530

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide?
The IUPAC name of 4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide (CID 63040857) is 4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide is CNC(CCOc1cc(C)cc(C)c1)C(N)=O.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide?
The InChIKey is WLLJLSFCCZLCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-6-10(2)8-11(7-9)17-5-4-12(15-3)13(14)16/h6-8,12,15H,4-5H2,1-3H3,(H2,14,16).
What are the key properties of 4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide?
4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide is sourced from PubChem (CID 63040857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).