3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide

C15H22N2O3 — CID 106916558

IUPAC3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C15H22N2O3/c1-11(15(19)16-2)9-17(3)10-14(18)12-6-5-7-13(8-12)20-4/h5-8,11H,9-10H2,1-4H3,(H,16,19)
InChIKeyZSLFEDNMYPAWJG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.19
Rot. Bonds7

About 3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide

3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106916558) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106916558
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC(=O)c1cccc(OC)c1
InChIInChI=1S/C15H22N2O3/c1-11(15(19)16-2)9-17(3)10-14(18)12-6-5-7-13(8-12)20-4/h5-8,11H,9-10H2,1-4H3,(H,16,19)
InChIKeyZSLFEDNMYPAWJG-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796154
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681718
3-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106916614
1-(3-methoxyphenyl)-2-[2-methylpropyl(pentan-3-yl)amino]ethanone
CID 79491164
1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79849561
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
N,2-dimethyl-3-[methyl-[2-(4-nitrophenyl)-2-oxoethyl]amino]propanamide
CID 106916615
1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60680137
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61437442
1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 60650680

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide (CID 106916558) is 3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)CC(=O)c1cccc(OC)c1.
What is the InChIKey of 3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is ZSLFEDNMYPAWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(15(19)16-2)9-17(3)10-14(18)12-6-5-7-13(8-12)20-4/h5-8,11H,9-10H2,1-4H3,(H,16,19).
What are the key properties of 3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106916558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).