2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide

C13H16N2O4 — CID 173418970

IUPAC2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N[C@H]1C
InChIInChI=1S/C13H16N2O4/c1-7-11(13(17)14-7)15-12(16)10-8(18-2)5-4-6-9(10)19-3/h4-7,11H,1-3H3,(H,14,17)(H,15,16)/t7-,11-/m0/s1
InChIKeyJRJZGPLLMQGLNH-CPCISQLKSA-N
MW264.28 g/mol
LogP0.32
Rot. Bonds4

About 2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide

2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide (PubChem CID 173418970) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide
PubChem CID173418970
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N[C@H]1C
InChIInChI=1S/C13H16N2O4/c1-7-11(13(17)14-7)15-12(16)10-8(18-2)5-4-6-9(10)19-3/h4-7,11H,1-3H3,(H,14,17)(H,15,16)/t7-,11-/m0/s1
InChIKeyJRJZGPLLMQGLNH-CPCISQLKSA-N
XLogP0.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]-2,6-dimethoxybenzamide
CID 70481443
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
[(3S)-3-[(2,6-dimethoxybenzoyl)amino]-2-methyl-4-oxoazetidin-1-yl] hydrogen sulfate
CID 70482727
2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2,6-dimethoxybenzamide
CID 110722270
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
2,6-dimethoxybenzohydrazide
CID 2806104
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
2-bromo-N-cyclopropyl-6-methoxybenzamide
CID 171934573

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide (CID 173418970) is 2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide is COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N[C@H]1C.
What is the InChIKey of 2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide?
The InChIKey is JRJZGPLLMQGLNH-CPCISQLKSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7-11(13(17)14-7)15-12(16)10-8(18-2)5-4-6-9(10)19-3/h4-7,11H,1-3H3,(H,14,17)(H,15,16)/t7-,11-/m0/s1.
What are the key properties of 2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide?
2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide has a molecular weight of 264.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]benzamide is sourced from PubChem (CID 173418970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).