3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide

C12H18N4O2 — CID 61094798

IUPAC3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C12H18N4O2/c1-15(2)11(17)7-16(3)12(18)8-4-9(13)6-10(14)5-8/h4-6H,7,13-14H2,1-3H3
InChIKeyRAOYTOPOJKSPHK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.01
Rot. Bonds3

About 3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide

3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 61094798) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID61094798
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C12H18N4O2/c1-15(2)11(17)7-16(3)12(18)8-4-9(13)6-10(14)5-8/h4-6H,7,13-14H2,1-3H3
InChIKeyRAOYTOPOJKSPHK-UHFFFAOYSA-N
XLogP0.01
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 82833484
N-[2-(dimethylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63188388
3,5-diamino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 61115445
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63694073
3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79384757
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61109542
3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 43452633
methyl 2-[(3-amino-5-methoxybenzoyl)-methylamino]acetate
CID 81090418
3-amino-5-cyclopropyl-N-(hydroxymethyl)-N-methylbenzamide
CID 126681616
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide (CID 61094798) is 3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide is CN(C)C(=O)CN(C)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is RAOYTOPOJKSPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15(2)11(17)7-16(3)12(18)8-4-9(13)6-10(14)5-8/h4-6H,7,13-14H2,1-3H3.
What are the key properties of 3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 61094798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).