5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide

C16H27N3O — CID 79478168

IUPAC5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(CC)C(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C16H27N3O/c1-6-12(3)11-19(7-2)16(20)14-10-13(17)8-9-15(14)18(4)5/h8-10,12H,6-7,11,17H2,1-5H3
InChIKeyRPHUFZWDBAIJBO-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.84
Rot. Bonds6

About 5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide

5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide (PubChem CID 79478168) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide
PubChem CID79478168
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(CC)C(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C16H27N3O/c1-6-12(3)11-19(7-2)16(20)14-10-13(17)8-9-15(14)18(4)5/h8-10,12H,6-7,11,17H2,1-5H3
InChIKeyRPHUFZWDBAIJBO-UHFFFAOYSA-N
XLogP2.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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'}

Analyze 5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 79471867
5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide
CID 61095752
5-amino-N-ethyl-2-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
CID 79477889
5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide
CID 103296632
5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 43587095
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
CID 61095548
ethyl 5-amino-2-[ethyl(2-methylbutyl)amino]benzoate
CID 79470096
5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 61106135
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
5-amino-2-(dimethylamino)-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 107733000
5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61114708
5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
CID 83176982

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide (CID 79478168) is 5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide is CCC(C)CN(CC)C(=O)c1cc(N)ccc1N(C)C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide?
The InChIKey is RPHUFZWDBAIJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-12(3)11-19(7-2)16(20)14-10-13(17)8-9-15(14)18(4)5/h8-10,12H,6-7,11,17H2,1-5H3.
What are the key properties of 5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide?
5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.84, 6 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-ethyl-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 79478168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).