3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide

C18H21N3O3 — CID 112993687

IUPAC3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H21N3O3/c1-21(11-8-14-6-9-19-10-7-14)17(22)13-20-18(23)15-4-3-5-16(12-15)24-2/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,20,23)
InChIKeyPUGGDDHVALEOHB-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.52
Rot. Bonds7

About 3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide

3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 112993687) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
PubChem CID112993687
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H21N3O3/c1-21(11-8-14-6-9-19-10-7-14)17(22)13-20-18(23)15-4-3-5-16(12-15)24-2/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,20,23)
InChIKeyPUGGDDHVALEOHB-UHFFFAOYSA-N
XLogP1.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 99274260
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993686
4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993682
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993704
3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055260
N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152133
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993755
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide (CID 112993687) is 3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide is COc1cccc(C(=O)NCC(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of 3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is PUGGDDHVALEOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(11-8-14-6-9-19-10-7-14)17(22)13-20-18(23)15-4-3-5-16(12-15)24-2/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,20,23).
What are the key properties of 3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide?
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 112993687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).