5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide

C15H24N4O2 — CID 115355819

IUPAC5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C15H24N4O2/c1-15(2,3)18-13(20)9-17-14(21)11-8-10(16)6-7-12(11)19(4)5/h6-8H,9,16H2,1-5H3,(H,17,21)(H,18,20)
InChIKeyZGKBRWHYUVFOOH-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.98
Rot. Bonds4

About 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide

5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide (PubChem CID 115355819) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
PubChem CID115355819
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
SMILESCN(C)c1ccc(N)cc1C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C15H24N4O2/c1-15(2,3)18-13(20)9-17-14(21)11-8-10(16)6-7-12(11)19(4)5/h6-8H,9,16H2,1-5H3,(H,17,21)(H,18,20)
InChIKeyZGKBRWHYUVFOOH-UHFFFAOYSA-N
XLogP0.98
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.98
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

[2-(tert-butylamino)-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
CID 61321626
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide
CID 115355845
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(dimethylamino)benzamide
CID 106095375
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2,3-dichlorobenzamide
CID 107185636
5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
CID 102694296
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 113293311
5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106242211
5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425099
5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
CID 83176982

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide?
The IUPAC name of 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide (CID 115355819) is 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide.
What is the SMILES notation for 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide?
The canonical SMILES for 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide is CN(C)c1ccc(N)cc1C(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide?
The InChIKey is ZGKBRWHYUVFOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)18-13(20)9-17-14(21)11-8-10(16)6-7-12(11)19(4)5/h6-8H,9,16H2,1-5H3,(H,17,21)(H,18,20).
What are the key properties of 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide?
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide has a molecular weight of 292.38 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide is sourced from PubChem (CID 115355819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).