5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride

C15H24ClN3O3 — CID 119808622

IUPAC5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-11-5-6-12(9-13(11)15(20)18(2)3)17-14(19)10-16-7-8-21-4;/h5-6,9,16H,7-8,10H2,1-4H3,(H,17,19);1H
InChIKeyUTDMQSPAYPHBKQ-UHFFFAOYSA-N
MW329.83 g/mol
LogP1.29
Rot. Bonds7

About 5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride

5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride (PubChem CID 119808622) has the molecular formula C15H24ClN3O3 and a molecular weight of 329.83 g/mol. Its IUPAC name is 5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride
PubChem CID119808622
Molecular FormulaC15H24ClN3O3
Molecular Weight329.83 g/mol
Exact Mass329.15
IUPAC Name5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-11-5-6-12(9-13(11)15(20)18(2)3)17-14(19)10-16-7-8-21-4;/h5-6,9,16H,7-8,10H2,1-4H3,(H,17,19);1H
InChIKeyUTDMQSPAYPHBKQ-UHFFFAOYSA-N
XLogP1.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chloroacetyl)amino]-N,N,2-trimethylbenzamide
CID 166403824
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711591
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 79281641
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 78912544
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119768220
2-(2-methoxyethylamino)-N-[3-(1-methoxyethyl)phenyl]acetamide;hydrochloride
CID 119768563

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride?
The IUPAC name of 5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride (CID 119808622) is 5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride.
What is the SMILES notation for 5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride?
The canonical SMILES for 5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride is COCCNCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1.Cl.
What is the InChIKey of 5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride?
The InChIKey is UTDMQSPAYPHBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.ClH/c1-11-5-6-12(9-13(11)15(20)18(2)3)17-14(19)10-16-7-8-21-4;/h5-6,9,16H,7-8,10H2,1-4H3,(H,17,19);1H.
What are the key properties of 5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride?
5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride is sourced from PubChem (CID 119808622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).