N-(azetidin-3-yl)-3-methylbenzamide

C11H14N2O — CID 66186058

IUPACN-(azetidin-3-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CNC2)c1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-9(5-8)11(14)13-10-6-12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKeyBPAKEBJSKWDHOC-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.70
Rot. Bonds2

About N-(azetidin-3-yl)-3-methylbenzamide

N-(azetidin-3-yl)-3-methylbenzamide (PubChem CID 66186058) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-methylbenzamide
PubChem CID66186058
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-(azetidin-3-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CNC2)c1
InChIInChI=1S/C11H14N2O/c1-8-3-2-4-9(5-8)11(14)13-10-6-12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKeyBPAKEBJSKWDHOC-UHFFFAOYSA-N
XLogP0.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctyl-3-methylbenzamide
CID 966011
N-(azetidin-3-yl)-3-methylsulfonylbenzamide
CID 66186520
3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 62491778
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
3-methyl-N-piperidin-1-ium-4-ylbenzamide
CID 7412122
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
3-methyl-N-(2-oxopiperidin-4-yl)benzamide
CID 112534523
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123
3-hydroxy-N-(5-methylpiperidin-3-yl)benzamide
CID 107585048

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-methylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-3-methylbenzamide (CID 66186058) is N-(azetidin-3-yl)-3-methylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-methylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-3-methylbenzamide is Cc1cccc(C(=O)NC2CNC2)c1.
What is the InChIKey of N-(azetidin-3-yl)-3-methylbenzamide?
The InChIKey is BPAKEBJSKWDHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-2-4-9(5-8)11(14)13-10-6-12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14).
What are the key properties of N-(azetidin-3-yl)-3-methylbenzamide?
N-(azetidin-3-yl)-3-methylbenzamide has a molecular weight of 190.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-methylbenzamide is sourced from PubChem (CID 66186058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).