3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide

C18H21N3O3 — CID 87002102

IUPAC3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(C)C(=O)COc1cccc(C(=O)N(C)Cc2cccnc2)c1
InChIInChI=1S/C18H21N3O3/c1-20(2)17(22)13-24-16-8-4-7-15(10-16)18(23)21(3)12-14-6-5-9-19-11-14/h4-11H,12-13H2,1-3H3
InChIKeyOVFQTGBKPAAEAI-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.82
Rot. Bonds6

About 3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide

3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 87002102) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID87002102
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(C)C(=O)COc1cccc(C(=O)N(C)Cc2cccnc2)c1
InChIInChI=1S/C18H21N3O3/c1-20(2)17(22)13-24-16-8-4-7-15(10-16)18(23)21(3)12-14-6-5-9-19-11-14/h4-11H,12-13H2,1-3H3
InChIKeyOVFQTGBKPAAEAI-UHFFFAOYSA-N
XLogP1.82
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 86824225
3-[2-(dimethylamino)-2-oxoethoxy]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55770594
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
N-methyl-3-(pyridin-3-ylmethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55775742
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 87002083
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 87002102) is 3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide is CN(C)C(=O)COc1cccc(C(=O)N(C)Cc2cccnc2)c1.
What is the InChIKey of 3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is OVFQTGBKPAAEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-20(2)17(22)13-24-16-8-4-7-15(10-16)18(23)21(3)12-14-6-5-9-19-11-14/h4-11H,12-13H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 327.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 87002102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).