5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide

C13H19N3O2 — CID 102705008

IUPAC5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC(=O)N(C)C)cc1N
InChIInChI=1S/C13H19N3O2/c1-8-5-9(2)11(14)6-10(8)13(18)15-7-12(17)16(3)4/h5-6H,7,14H2,1-4H3,(H,15,18)
InChIKeyGWHYRLWUSZJBKQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.70
Rot. Bonds3

About 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide

5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide (PubChem CID 102705008) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
PubChem CID102705008
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC(=O)N(C)C)cc1N
InChIInChI=1S/C13H19N3O2/c1-8-5-9(2)11(14)6-10(8)13(18)15-7-12(17)16(3)4/h5-6H,7,14H2,1-4H3,(H,15,18)
InChIKeyGWHYRLWUSZJBKQ-UHFFFAOYSA-N
XLogP0.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872185
N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 9480533
5-amino-2,4-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 102705881
5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 102705513
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 61209357
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide
CID 102705855
5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112705694
5-amino-N-but-3-ynyl-2,4-dimethylbenzamide
CID 102705618
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 43437028
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide (CID 102705008) is 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NCC(=O)N(C)C)cc1N.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide?
The InChIKey is GWHYRLWUSZJBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-5-9(2)11(14)6-10(8)13(18)15-7-12(17)16(3)4/h5-6H,7,14H2,1-4H3,(H,15,18).
What are the key properties of 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide?
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 102705008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).