N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide

C14H20N2O — CID 177348316

IUPACN,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide
SMILESCC1CN(Cc2ccccc2C(=O)N(C)C)C1
InChIInChI=1S/C14H20N2O/c1-11-8-16(9-11)10-12-6-4-5-7-13(12)14(17)15(2)3/h4-7,11H,8-10H2,1-3H3
InChIKeyOKPLWJHYMUCVJP-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.84
Rot. Bonds3

About N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide

N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide (PubChem CID 177348316) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide
PubChem CID177348316
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide
SMILESCC1CN(Cc2ccccc2C(=O)N(C)C)C1
InChIInChI=1S/C14H20N2O/c1-11-8-16(9-11)10-12-6-4-5-7-13(12)14(17)15(2)3/h4-7,11H,8-10H2,1-3H3
InChIKeyOKPLWJHYMUCVJP-UHFFFAOYSA-N
XLogP1.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891548
2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 47043225
N,N-dimethyl-2-(2-oxoethyl)benzamide
CID 145181093
methyl 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoate
CID 82969270
2-[(3,5-dimethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 24708467
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55847080
2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)benzoic acid
CID 84795975
methyl 2-[[(3S,4R)-3-hydroxy-4-methylpiperidin-1-yl]methyl]benzoate
CID 98870833
2-[[(3S,4S)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 56711504
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide
CID 66371242
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
2-[(2R)-2-amino-3-hydroxypropyl]-N,N-dimethylbenzamide
CID 18660310

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide?
The IUPAC name of N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide (CID 177348316) is N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide?
The canonical SMILES for N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide is CC1CN(Cc2ccccc2C(=O)N(C)C)C1.
What is the InChIKey of N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide?
The InChIKey is OKPLWJHYMUCVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-8-16(9-11)10-12-6-4-5-7-13(12)14(17)15(2)3/h4-7,11H,8-10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide?
N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide has a molecular weight of 232.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide is sourced from PubChem (CID 177348316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).