4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide

C15H22N3O3+ — CID 4753621

IUPAC4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C15H21N3O3/c1-12(19)17-14-4-2-13(3-5-14)15(20)16-6-7-18-8-10-21-11-9-18/h2-5H,6-11H2,1H3,(H,16,20)(H,17,19)/p+1
InChIKeyNJHQKXFVGFLZDR-UHFFFAOYSA-O
MW292.36 g/mol
LogP-0.71
Rot. Bonds5

About 4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide

4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide (PubChem CID 4753621) has the molecular formula C15H22N3O3+ and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
PubChem CID4753621
Molecular FormulaC15H22N3O3+
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C15H21N3O3/c1-12(19)17-14-4-2-13(3-5-14)15(20)16-6-7-18-8-10-21-11-9-18/h2-5H,6-11H2,1H3,(H,16,20)(H,17,19)/p+1
InChIKeyNJHQKXFVGFLZDR-UHFFFAOYSA-O
XLogP-0.71
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7392696
3-acetamido-4-(4-methylphenyl)sulfanyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4052471
4-[(4-methylphenyl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7379251
N'-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7585524
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 6919317
2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7155155
4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide
CID 7618207
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
CID 43834667
4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7379816
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123
2-benzamido-4,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide
CID 3632977
N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide
CID 6949050

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The IUPAC name of 4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide (CID 4753621) is 4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The canonical SMILES for 4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide is CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The InChIKey is NJHQKXFVGFLZDR-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N3O3/c1-12(19)17-14-4-2-13(3-5-14)15(20)16-6-7-18-8-10-21-11-9-18/h2-5H,6-11H2,1H3,(H,16,20)(H,17,19)/p+1.
What are the key properties of 4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide has a molecular weight of 292.36 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide is sourced from PubChem (CID 4753621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).