4-methoxy-3-(methylamino)-3-phenylbutanamide

C12H18N2O2 — CID 103466300

IUPAC4-methoxy-3-(methylamino)-3-phenylbutanamide
SMILESCNC(COC)(CC(N)=O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-14-12(9-16-2,8-11(13)15)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3,(H2,13,15)
InChIKeyMVFXUFDTFASZLR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.62
Rot. Bonds6

About 4-methoxy-3-(methylamino)-3-phenylbutanamide

4-methoxy-3-(methylamino)-3-phenylbutanamide (PubChem CID 103466300) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methoxy-3-(methylamino)-3-phenylbutanamide.

Molecular Properties

Compound Name4-methoxy-3-(methylamino)-3-phenylbutanamide
PubChem CID103466300
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-methoxy-3-(methylamino)-3-phenylbutanamide
SMILESCNC(COC)(CC(N)=O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-14-12(9-16-2,8-11(13)15)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3,(H2,13,15)
InChIKeyMVFXUFDTFASZLR-UHFFFAOYSA-N
XLogP0.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-3-(methylamino)-3-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylamino)-4-methoxy-3-phenylbutanamide
CID 103466305
4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
CID 103466320
3-(ethylamino)-4-methoxy-3-phenylbutanoic acid
CID 103466302
3,3-diphenylpentanediamide
CID 141227643
3-(3-fluorophenyl)-3-(methylamino)pentanamide
CID 114873102
(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine
CID 103466015
4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695482
3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64804504
3-(2-ethylphenoxy)-2-(methylamino)-2-phenylpropan-1-ol
CID 64806249
methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate
CID 124849278
4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide
CID 65236981

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methylamino)-3-phenylbutanamide?
The IUPAC name of 4-methoxy-3-(methylamino)-3-phenylbutanamide (CID 103466300) is 4-methoxy-3-(methylamino)-3-phenylbutanamide.
What is the SMILES notation for 4-methoxy-3-(methylamino)-3-phenylbutanamide?
The canonical SMILES for 4-methoxy-3-(methylamino)-3-phenylbutanamide is CNC(COC)(CC(N)=O)c1ccccc1.
What is the InChIKey of 4-methoxy-3-(methylamino)-3-phenylbutanamide?
The InChIKey is MVFXUFDTFASZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-12(9-16-2,8-11(13)15)10-6-4-3-5-7-10/h3-7,14H,8-9H2,1-2H3,(H2,13,15).
What are the key properties of 4-methoxy-3-(methylamino)-3-phenylbutanamide?
4-methoxy-3-(methylamino)-3-phenylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methylamino)-3-phenylbutanamide is sourced from PubChem (CID 103466300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).