2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride

C14H21ClN2O2 — CID 43834667

IUPAC2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
SMILESCc1ccccc1C(=O)NCC[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C14H20N2O2.ClH/c1-12-4-2-3-5-13(12)14(17)15-6-7-16-8-10-18-11-9-16;/h2-5H,6-11H2,1H3,(H,15,17);1H
InChIKeyOIGFDPMLIJWCAK-UHFFFAOYSA-N
MW284.79 g/mol
LogP-3.36
Rot. Bonds4

About 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride

2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride (PubChem CID 43834667) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
PubChem CID43834667
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
SMILESCc1ccccc1C(=O)NCC[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C14H20N2O2.ClH/c1-12-4-2-3-5-13(12)14(17)15-6-7-16-8-10-18-11-9-16;/h2-5H,6-11H2,1H3,(H,15,17);1H
InChIKeyOIGFDPMLIJWCAK-UHFFFAOYSA-N
XLogP-3.36
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 5-3.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-morpholin-4-ium-4-ylethylcarbamothioyl)benzamide
CID 7349244
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide
CID 2105530
2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7286130
2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7155155
N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide
CID 6949050
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 6963176
N-(2,6-dimethylphenyl)-2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)acetamide
CID 8790841
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-(2-morpholin-4-ium-4-ylethyl)-3,3-diphenylpropanamide
CID 6919320
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 6919317
2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride (CID 43834667) is 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride is Cc1ccccc1C(=O)NCC[NH+]1CCOCC1.[Cl-].
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride?
The InChIKey is OIGFDPMLIJWCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-12-4-2-3-5-13(12)14(17)15-6-7-16-8-10-18-11-9-16;/h2-5H,6-11H2,1H3,(H,15,17);1H.
What are the key properties of 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride?
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride has a molecular weight of 284.79 g/mol, XLogP of -3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride is sourced from PubChem (CID 43834667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).