2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide

C14H22N2O2 — CID 43505066

IUPAC2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
SMILESCNC(C)c1cc(C)ccc1OCC(C)C(N)=O
InChIInChI=1S/C14H22N2O2/c1-9-5-6-13(12(7-9)11(3)16-4)18-8-10(2)14(15)17/h5-7,10-11,16H,8H2,1-4H3,(H2,15,17)
InChIKeyBGWWXCMEFNNLMA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.78
Rot. Bonds6

About 2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide

2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide (PubChem CID 43505066) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide.

Molecular Properties

Compound Name2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
PubChem CID43505066
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
SMILESCNC(C)c1cc(C)ccc1OCC(C)C(N)=O
InChIInChI=1S/C14H22N2O2/c1-9-5-6-13(12(7-9)11(3)16-4)18-8-10(2)14(15)17/h5-7,10-11,16H,8H2,1-4H3,(H2,15,17)
InChIKeyBGWWXCMEFNNLMA-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide
CID 55190954
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
CID 62103815
3-(2-amino-5-methylphenoxy)-2-methylpropanamide
CID 43311815
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 61486793
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
CID 107716852
N-carbamoyl-2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43505089
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
1-cyclopentyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 103156475
N-cyclopropyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 62628086
N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 43505135
5-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54966103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide?
The IUPAC name of 2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide (CID 43505066) is 2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide.
What is the SMILES notation for 2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide?
The canonical SMILES for 2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide is CNC(C)c1cc(C)ccc1OCC(C)C(N)=O.
What is the InChIKey of 2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide?
The InChIKey is BGWWXCMEFNNLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-5-6-13(12(7-9)11(3)16-4)18-8-10(2)14(15)17/h5-7,10-11,16H,8H2,1-4H3,(H2,15,17).
What are the key properties of 2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide?
2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide is sourced from PubChem (CID 43505066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).