5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride

C15H24ClN3O3 — CID 120623191

IUPAC5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-11-5-6-12(16)9-13(11)15(20)18(7-8-21-4)10-14(19)17(2)3;/h5-6,9H,7-8,10,16H2,1-4H3;1H
InChIKeyNMYDZADKCORQOI-UHFFFAOYSA-N
MW329.83 g/mol
LogP1.18
Rot. Bonds6

About 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride

5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride (PubChem CID 120623191) has the molecular formula C15H24ClN3O3 and a molecular weight of 329.83 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
PubChem CID120623191
Molecular FormulaC15H24ClN3O3
Molecular Weight329.83 g/mol
Exact Mass329.15
IUPAC Name5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-11-5-6-12(16)9-13(11)15(20)18(7-8-21-4)10-14(19)17(2)3;/h5-6,9H,7-8,10,16H2,1-4H3;1H
InChIKeyNMYDZADKCORQOI-UHFFFAOYSA-N
XLogP1.18
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729851
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729862
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 61106039
2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 61106038
5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
CID 82959703
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120632437
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113467625
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 115770617
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 62681504
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
ethyl 2-[(5-amino-2-methylbenzoyl)-methylamino]acetate
CID 54969504
5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide
CID 120626022

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride (CID 120623191) is 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride is COCCN(CC(=O)N(C)C)C(=O)c1cc(N)ccc1C.Cl.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride?
The InChIKey is NMYDZADKCORQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.ClH/c1-11-5-6-12(16)9-13(11)15(20)18(7-8-21-4)10-14(19)17(2)3;/h5-6,9H,7-8,10,16H2,1-4H3;1H.
What are the key properties of 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride?
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120623191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).