3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide

C13H17N3O2 — CID 64612034

IUPAC3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CC2CNC2)c1
InChIInChI=1S/C13H17N3O2/c1-14-13(18)10-3-2-4-11(6-10)16-12(17)5-9-7-15-8-9/h2-4,6,9,15H,5,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyVAVITJQCTMSTTP-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.59
Rot. Bonds4

About 3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide

3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide (PubChem CID 64612034) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide
PubChem CID64612034
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CC2CNC2)c1
InChIInChI=1S/C13H17N3O2/c1-14-13(18)10-3-2-4-11(6-10)16-12(17)5-9-7-15-8-9/h2-4,6,9,15H,5,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyVAVITJQCTMSTTP-UHFFFAOYSA-N
XLogP0.59
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(azetidin-3-yl)acetyl]amino]benzamide
CID 64612243
N-(3-acetamidophenyl)-2-(azetidin-3-yl)acetamide
CID 64617559
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-N-methylbenzamide
CID 51642056
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide
CID 102656067
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
2-(azetidin-3-yl)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 64616785
3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide
CID 33171708
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 35051099
3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
CID 54816300

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide (CID 64612034) is 3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)CC2CNC2)c1.
What is the InChIKey of 3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide?
The InChIKey is VAVITJQCTMSTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-13(18)10-3-2-4-11(6-10)16-12(17)5-9-7-15-8-9/h2-4,6,9,15H,5,7-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide?
3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide has a molecular weight of 247.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(azetidin-3-yl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 64612034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).