N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide

C13H18N2O3 — CID 66184450

IUPACN-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)cc1O)C1CNC1
InChIInChI=1S/C13H18N2O3/c1-3-15(9-7-14-8-9)13(17)11-5-4-10(18-2)6-12(11)16/h4-6,9,14,16H,3,7-8H2,1-2H3
InChIKeyHTOOWEXAQONMBO-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.83
Rot. Bonds4

About N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide

N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide (PubChem CID 66184450) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide
PubChem CID66184450
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)cc1O)C1CNC1
InChIInChI=1S/C13H18N2O3/c1-3-15(9-7-14-8-9)13(17)11-5-4-10(18-2)6-12(11)16/h4-6,9,14,16H,3,7-8H2,1-2H3
InChIKeyHTOOWEXAQONMBO-UHFFFAOYSA-N
XLogP0.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 66181476
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732147
N-(azetidin-3-yl)-N-ethyl-2-methoxybenzamide
CID 66182739
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-4-methoxybenzamide
CID 60717695
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 61351225
2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol
CID 66182943
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 66184674
2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide
CID 43430281
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-hydroxy-4-methoxybenzamide
CID 60717216

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide (CID 66184450) is N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide is CCN(C(=O)c1ccc(OC)cc1O)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide?
The InChIKey is HTOOWEXAQONMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-15(9-7-14-8-9)13(17)11-5-4-10(18-2)6-12(11)16/h4-6,9,14,16H,3,7-8H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide?
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide has a molecular weight of 250.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 66184450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).