5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide

C14H22N4O2 — CID 106095375

IUPAC5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C14H22N4O2/c1-14(2,8-12(16)19)17-13(20)10-7-9(15)5-6-11(10)18(3)4/h5-7H,8,15H2,1-4H3,(H2,16,19)(H,17,20)
InChIKeyWGABBUSCNSNNFD-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.72
Rot. Bonds5

About 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide

5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide (PubChem CID 106095375) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide
PubChem CID106095375
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C14H22N4O2/c1-14(2,8-12(16)19)17-13(20)10-7-9(15)5-6-11(10)18(3)4/h5-7H,8,15H2,1-4H3,(H2,16,19)(H,17,20)
InChIKeyWGABBUSCNSNNFD-UHFFFAOYSA-N
XLogP0.72
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
CID 106095391
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-nitrobenzamide
CID 106098370
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
CID 115355819
5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
CID 83176982
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106095327
[2-(tert-butylamino)-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
CID 61321626
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 104579469
5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide
CID 55033066
5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107
6-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 106095397
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide?
The IUPAC name of 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide (CID 106095375) is 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide.
What is the SMILES notation for 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide?
The canonical SMILES for 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide is CN(C)c1ccc(N)cc1C(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide?
The InChIKey is WGABBUSCNSNNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,8-12(16)19)17-13(20)10-7-9(15)5-6-11(10)18(3)4/h5-7H,8,15H2,1-4H3,(H2,16,19)(H,17,20).
What are the key properties of 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide?
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide has a molecular weight of 278.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide is sourced from PubChem (CID 106095375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).