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

C13H18N2O — CID 66181460

IUPACN-(azetidin-3-yl)-N-ethyl-3-methylbenzamide
SMILESCCN(C(=O)c1cccc(C)c1)C1CNC1
InChIInChI=1S/C13H18N2O/c1-3-15(12-8-14-9-12)13(16)11-6-4-5-10(2)7-11/h4-7,12,14H,3,8-9H2,1-2H3
InChIKeyUOGBYCJPKQASTL-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.43
Rot. Bonds3

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

N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide (PubChem CID 66181460) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-3-methylbenzamide
PubChem CID66181460
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(azetidin-3-yl)-N-ethyl-3-methylbenzamide
SMILESCCN(C(=O)c1cccc(C)c1)C1CNC1
InChIInChI=1S/C13H18N2O/c1-3-15(12-8-14-9-12)13(16)11-6-4-5-10(2)7-11/h4-7,12,14H,3,8-9H2,1-2H3
InChIKeyUOGBYCJPKQASTL-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
N-(azetidin-3-yl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 66181476
N-cyclopropyl-N-ethyl-3-sulfanylbenzamide
CID 107022345
3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid
CID 54926450
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 66184674
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
N-ethyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55203806
N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide
CID 66184231
N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758
N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974147
N-ethyl-3-nitro-N-piperidin-3-ylbenzamide
CID 63636738
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide
CID 66184040

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide (CID 66181460) is N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide is CCN(C(=O)c1cccc(C)c1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide?
The InChIKey is UOGBYCJPKQASTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-15(12-8-14-9-12)13(16)11-6-4-5-10(2)7-11/h4-7,12,14H,3,8-9H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide?
N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 66181460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).