5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide

C16H27N3O — CID 61106135

IUPAC5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
SMILESCC(N(C)C(=O)c1cc(N)ccc1N(C)C)C(C)(C)C
InChIInChI=1S/C16H27N3O/c1-11(16(2,3)4)19(7)15(20)13-10-12(17)8-9-14(13)18(5)6/h8-11H,17H2,1-7H3
InChIKeyBTIXQYJVCHAUHX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.84
Rot. Bonds3

About 5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide

5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide (PubChem CID 61106135) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
PubChem CID61106135
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
SMILESCC(N(C)C(=O)c1cc(N)ccc1N(C)C)C(C)(C)C
InChIInChI=1S/C16H27N3O/c1-11(16(2,3)4)19(7)15(20)13-10-12(17)8-9-14(13)18(5)6/h8-11H,17H2,1-7H3
InChIKeyBTIXQYJVCHAUHX-UHFFFAOYSA-N
XLogP2.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 60939876
5-amino-2-(dimethylamino)-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61110537
5-amino-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylpyridine-3-carboxamide
CID 61105565
5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide
CID 61095752
2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
CID 60939640
5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide
CID 79478168
5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 107733000
5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 107863882
5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
CID 83176982
5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
CID 102694296
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
CID 115355819
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
CID 61095548

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide (CID 61106135) is 5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide is CC(N(C)C(=O)c1cc(N)ccc1N(C)C)C(C)(C)C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide?
The InChIKey is BTIXQYJVCHAUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(16(2,3)4)19(7)15(20)13-10-12(17)8-9-14(13)18(5)6/h8-11H,17H2,1-7H3.
What are the key properties of 5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide?
5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide has a molecular weight of 277.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 61106135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).