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

C13H20ClN3O3 — CID 120618901

IUPAC5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
SMILESCOCCNC(=O)CNC(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-9-3-4-10(14)7-11(9)13(18)16-8-12(17)15-5-6-19-2;/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyDNKDSRMZTVMJBC-UHFFFAOYSA-N
MW301.77 g/mol
LogP0.49
Rot. Bonds6

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

5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride (PubChem CID 120618901) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
PubChem CID120618901
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
SMILESCOCCNC(=O)CNC(=O)c1cc(N)ccc1C.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-9-3-4-10(14)7-11(9)13(18)16-8-12(17)15-5-6-19-2;/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyDNKDSRMZTVMJBC-UHFFFAOYSA-N
XLogP0.49
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 61291717
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CID 120620047
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
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2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 120640503
4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577293
methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
CID 120617889
5-amino-2-(2,5-dimethylanilino)-N-(2-methoxyethyl)benzamide
CID 100643393
5-amino-2-(ethylamino)-N-(2-methoxyethyl)benzamide
CID 100638026
methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate
CID 120633675
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride (CID 120618901) is 5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride is COCCNC(=O)CNC(=O)c1cc(N)ccc1C.Cl.
What is the InChIKey of 5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride?
The InChIKey is DNKDSRMZTVMJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.ClH/c1-9-3-4-10(14)7-11(9)13(18)16-8-12(17)15-5-6-19-2;/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,17)(H,16,18);1H.
What are the key properties of 5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride?
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120618901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).