N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide

C13H18N2O2 — CID 66184674

IUPACN-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
SMILESCCN(C(=O)c1cccc(C)c1O)C1CNC1
InChIInChI=1S/C13H18N2O2/c1-3-15(10-7-14-8-10)13(17)11-6-4-5-9(2)12(11)16/h4-6,10,14,16H,3,7-8H2,1-2H3
InChIKeySZNGWSCCFCRHST-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds3

About N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide

N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide (PubChem CID 66184674) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
PubChem CID66184674
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
SMILESCCN(C(=O)c1cccc(C)c1O)C1CNC1
InChIInChI=1S/C13H18N2O2/c1-3-15(10-7-14-8-10)13(17)11-6-4-5-9(2)12(11)16/h4-6,10,14,16H,3,7-8H2,1-2H3
InChIKeySZNGWSCCFCRHST-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806343
N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide
CID 66184160
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide
CID 60799804
N-(azetidin-3-yl)-N-ethyl-2-methoxybenzamide
CID 66182739
N-ethyl-2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 60807403
N-(azetidin-3-yl)-N-ethyl-3-methylbenzamide
CID 66181460
N-cyclopropyl-2-hydroxy-N-(2-methoxyethyl)-3-methylbenzamide
CID 60794549
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732147
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide
CID 43594388
N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide
CID 60806004

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide (CID 66184674) is N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide is CCN(C(=O)c1cccc(C)c1O)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide?
The InChIKey is SZNGWSCCFCRHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-15(10-7-14-8-10)13(17)11-6-4-5-9(2)12(11)16/h4-6,10,14,16H,3,7-8H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide?
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 66184674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).