2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide

C13H20N2O2 — CID 103021373

IUPAC2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide
SMILESCNCc1cccc(NC(=O)C(C)(C)OC)c1
InChIInChI=1S/C13H20N2O2/c1-13(2,17-4)12(16)15-11-7-5-6-10(8-11)9-14-3/h5-8,14H,9H2,1-4H3,(H,15,16)
InChIKeyZEQQSEVXOGLKIJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.77
Rot. Bonds5

About 2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide

2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide (PubChem CID 103021373) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide
PubChem CID103021373
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide
SMILESCNCc1cccc(NC(=O)C(C)(C)OC)c1
InChIInChI=1S/C13H20N2O2/c1-13(2,17-4)12(16)15-11-7-5-6-10(8-11)9-14-3/h5-8,14H,9H2,1-4H3,(H,15,16)
InChIKeyZEQQSEVXOGLKIJ-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-2-methylpropanamide
CID 113233308
3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119440969
phenyl N-[3-(methylaminomethyl)phenyl]carbamate
CID 43602480
N-[3-(cyanomethoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 113233319
3-hydroxy-2-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 82830003
2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
CID 119441041
2-[carboxymethyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]acetic acid
CID 63646129
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 119441047
(2S)-N-[(3-acetamidophenyl)methyl]-2-methoxy-2-phenylpropanamide
CID 95614299

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide (CID 103021373) is 2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide is CNCc1cccc(NC(=O)C(C)(C)OC)c1.
What is the InChIKey of 2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide?
The InChIKey is ZEQQSEVXOGLKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,17-4)12(16)15-11-7-5-6-10(8-11)9-14-3/h5-8,14H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide?
2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[3-(methylaminomethyl)phenyl]propanamide is sourced from PubChem (CID 103021373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).