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

C14H22N2O2 — CID 55143007

IUPAC2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide
SMILESCNC(CCOc1cc(C)cc(C)c1C)C(N)=O
InChIInChI=1S/C14H22N2O2/c1-9-7-10(2)11(3)13(8-9)18-6-5-12(16-4)14(15)17/h7-8,12,16H,5-6H2,1-4H3,(H2,15,17)
InChIKeyFMFNEMCGUKFTOG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.45
Rot. Bonds6

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

2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide (PubChem CID 55143007) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide.

Molecular Properties

Compound Name2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide
PubChem CID55143007
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide
SMILESCNC(CCOc1cc(C)cc(C)c1C)C(N)=O
InChIInChI=1S/C14H22N2O2/c1-9-7-10(2)11(3)13(8-9)18-6-5-12(16-4)14(15)17/h7-8,12,16H,5-6H2,1-4H3,(H2,15,17)
InChIKeyFMFNEMCGUKFTOG-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide?
The IUPAC name of 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide (CID 55143007) is 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide.
What is the SMILES notation for 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide?
The canonical SMILES for 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide is CNC(CCOc1cc(C)cc(C)c1C)C(N)=O.
What is the InChIKey of 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide?
The InChIKey is FMFNEMCGUKFTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-7-10(2)11(3)13(8-9)18-6-5-12(16-4)14(15)17/h7-8,12,16H,5-6H2,1-4H3,(H2,15,17).
What are the key properties of 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide?
2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide is sourced from PubChem (CID 55143007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).