N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride

C19H35Cl2N3O2 — CID 119608481

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
SMILESCCN(CC)CCOc1ccc(C(=O)NC(C)(CN)C(C)C)cc1.Cl.Cl
InChIInChI=1S/C19H33N3O2.2ClH/c1-6-22(7-2)12-13-24-17-10-8-16(9-11-17)18(23)21-19(5,14-20)15(3)4;;/h8-11,15H,6-7,12-14,20H2,1-5H3,(H,21,23);2*1H
InChIKeyQRKUSVDVVKCGPI-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.35
Rot. Bonds10

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride (PubChem CID 119608481) has the molecular formula C19H35Cl2N3O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
PubChem CID119608481
Molecular FormulaC19H35Cl2N3O2
Molecular Weight408.41 g/mol
Exact Mass407.21
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
SMILESCCN(CC)CCOc1ccc(C(=O)NC(C)(CN)C(C)C)cc1.Cl.Cl
InChIInChI=1S/C19H33N3O2.2ClH/c1-6-22(7-2)12-13-24-17-10-8-16(9-11-17)18(23)21-19(5,14-20)15(3)4;;/h8-11,15H,6-7,12-14,20H2,1-5H3,(H,21,23);2*1H
InChIKeyQRKUSVDVVKCGPI-UHFFFAOYSA-N
XLogP3.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119629951
4-(4-acetylphenoxy)-N-(1-amino-2,3-dimethylbutan-2-yl)butanamide
CID 119605954
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride
CID 119567915
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119607652
N-[1-(aminomethyl)cyclopentyl]-4-[2-(diethylamino)ethoxy]benzamide
CID 119567916
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119607897
N-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119605451
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)-4-benzamidobenzamide;hydrochloride
CID 119607871
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethoxy)benzamide
CID 119523172

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride (CID 119608481) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride is CCN(CC)CCOc1ccc(C(=O)NC(C)(CN)C(C)C)cc1.Cl.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride?
The InChIKey is QRKUSVDVVKCGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2.2ClH/c1-6-22(7-2)12-13-24-17-10-8-16(9-11-17)18(23)21-19(5,14-20)15(3)4;;/h8-11,15H,6-7,12-14,20H2,1-5H3,(H,21,23);2*1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride has a molecular weight of 408.41 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-[2-(diethylamino)ethoxy]benzamide;dihydrochloride is sourced from PubChem (CID 119608481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).