N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride

C16H29Cl2N3O — CID 119641082

IUPACN-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cccc(CN(C)C)c1.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-5-16(17,6-2)12-18-15(20)14-9-7-8-13(10-14)11-19(3)4;;/h7-10H,5-6,11-12,17H2,1-4H3,(H,18,20);2*1H
InChIKeyOVUDQMPWYVLESW-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.84
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride (PubChem CID 119641082) has the molecular formula C16H29Cl2N3O and a molecular weight of 350.33 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
PubChem CID119641082
Molecular FormulaC16H29Cl2N3O
Molecular Weight350.33 g/mol
Exact Mass349.17
IUPAC NameN-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cccc(CN(C)C)c1.Cl.Cl
InChIInChI=1S/C16H27N3O.2ClH/c1-5-16(17,6-2)12-18-15(20)14-9-7-8-13(10-14)11-19(3)4;;/h7-10H,5-6,11-12,17H2,1-4H3,(H,18,20);2*1H
InChIKeyOVUDQMPWYVLESW-UHFFFAOYSA-N
XLogP2.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride
CID 119640724
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971
N-(3-aminopropyl)-3-[(dimethylamino)methyl]benzamide
CID 84613738
N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119641846
3-[(dimethylamino)methyl]-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485450
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119643191
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
CID 115305742
3-[3-[(dimethylamino)methyl]phenyl]benzohydrazide
CID 177345259
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride (CID 119641082) is N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride is CCC(N)(CC)CNC(=O)c1cccc(CN(C)C)c1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride?
The InChIKey is OVUDQMPWYVLESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.2ClH/c1-5-16(17,6-2)12-18-15(20)14-9-7-8-13(10-14)11-19(3)4;;/h7-10H,5-6,11-12,17H2,1-4H3,(H,18,20);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride has a molecular weight of 350.33 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-[(dimethylamino)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119641082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).