N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide

C14H19N3O3 — CID 102656067

IUPACN-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)COC2(C)CNC2)c1
InChIInChI=1S/C14H19N3O3/c1-14(8-16-9-14)20-7-12(18)17-11-5-3-4-10(6-11)13(19)15-2/h3-6,16H,7-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySJEOPCOOMDBGRZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.36
Rot. Bonds5

About N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide

N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide (PubChem CID 102656067) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide
PubChem CID102656067
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)COC2(C)CNC2)c1
InChIInChI=1S/C14H19N3O3/c1-14(8-16-9-14)20-7-12(18)17-11-5-3-4-10(6-11)13(19)15-2/h3-6,16H,7-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySJEOPCOOMDBGRZ-UHFFFAOYSA-N
XLogP0.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83066087
N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610758
N-(3-ethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610774
3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide
CID 64612034
N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655731
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 35051099
N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611178
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-(3-fluoro-4-methoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611096
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
CID 17396359
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide (CID 102656067) is N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)COC2(C)CNC2)c1.
What is the InChIKey of N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide?
The InChIKey is SJEOPCOOMDBGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(8-16-9-14)20-7-12(18)17-11-5-3-4-10(6-11)13(19)15-2/h3-6,16H,7-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide?
N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide has a molecular weight of 277.32 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide is sourced from PubChem (CID 102656067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).