3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide

C20H24N2O3 — CID 46401457

IUPAC3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide
SMILESCOc1cccc(CCC(=O)NCc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-22(2)20(24)17-8-4-7-16(12-17)14-21-19(23)11-10-15-6-5-9-18(13-15)25-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,21,23)
InChIKeyRXQJNSWAXGLCRK-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.65
Rot. Bonds7

About 3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide

3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 46401457) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide
PubChem CID46401457
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide
SMILESCOc1cccc(CCC(=O)NCc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-22(2)20(24)17-8-4-7-16(12-17)14-21-19(23)11-10-15-6-5-9-18(13-15)25-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,21,23)
InChIKeyRXQJNSWAXGLCRK-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
N-[(3-methoxyphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007299
3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840754
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
CID 110785147
3-[2-[[N-[3-(3-methoxyphenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669074
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7260858
3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840847
N-(2-amino-2-ethylbutyl)-3-(3-methoxyphenyl)propanamide
CID 119643172

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide (CID 46401457) is 3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide is COc1cccc(CCC(=O)NCc2cccc(C(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is RXQJNSWAXGLCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-22(2)20(24)17-8-4-7-16(12-17)14-21-19(23)11-10-15-6-5-9-18(13-15)25-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,21,23).
What are the key properties of 3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide?
3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 46401457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).