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

C18H21N3O3 — CID 112993686

IUPAC2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C18H21N3O3/c1-21(12-9-14-7-10-19-11-8-14)17(22)13-20-18(23)15-5-3-4-6-16(15)24-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,20,23)
InChIKeyDKOURGQIVBPTGY-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.52
Rot. Bonds7

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

2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 112993686) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
PubChem CID112993686
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C18H21N3O3/c1-21(12-9-14-7-10-19-11-8-14)17(22)13-20-18(23)15-5-3-4-6-16(15)24-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,20,23)
InChIKeyDKOURGQIVBPTGY-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
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687
2-methoxy-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzamide
CID 112993143
4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993682
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 51101796
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-amino-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]acetamide
CID 54944012
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993704
2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 108996378
2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001550
3-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026081

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide (CID 112993686) is 2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide is COc1ccccc1C(=O)NCC(=O)N(C)CCc1ccncc1.
What is the InChIKey of 2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is DKOURGQIVBPTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(12-9-14-7-10-19-11-8-14)17(22)13-20-18(23)15-5-3-4-6-16(15)24-2/h3-8,10-11H,9,12-13H2,1-2H3,(H,20,23).
What are the key properties of 2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide?
2-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 2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 112993686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).