N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride

C18H33Cl2N3O — CID 119652761

IUPACN-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
SMILESCCCN(CC)c1ccc(C(=O)N(C)CC(C)(C)CN)cc1.Cl.Cl
InChIInChI=1S/C18H31N3O.2ClH/c1-6-12-21(7-2)16-10-8-15(9-11-16)17(22)20(5)14-18(3,4)13-19;;/h8-11H,6-7,12-14,19H2,1-5H3;2*1H
InChIKeyAKVBQEMZJHBKIZ-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.82
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride (PubChem CID 119652761) has the molecular formula C18H33Cl2N3O and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
PubChem CID119652761
Molecular FormulaC18H33Cl2N3O
Molecular Weight378.39 g/mol
Exact Mass377.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
SMILESCCCN(CC)c1ccc(C(=O)N(C)CC(C)(C)CN)cc1.Cl.Cl
InChIInChI=1S/C18H31N3O.2ClH/c1-6-12-21(7-2)16-10-8-15(9-11-16)17(22)20(5)14-18(3,4)13-19;;/h8-11H,6-7,12-14,19H2,1-5H3;2*1H
InChIKeyAKVBQEMZJHBKIZ-UHFFFAOYSA-N
XLogP3.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-4-methylpentyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119657613
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119654023
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
CID 119652729
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide
CID 119656442
N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119656047
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide
CID 79652485
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 79652401

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride (CID 119652761) is N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride is CCCN(CC)c1ccc(C(=O)N(C)CC(C)(C)CN)cc1.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride?
The InChIKey is AKVBQEMZJHBKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O.2ClH/c1-6-12-21(7-2)16-10-8-15(9-11-16)17(22)20(5)14-18(3,4)13-19;;/h8-11H,6-7,12-14,19H2,1-5H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride has a molecular weight of 378.39 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride is sourced from PubChem (CID 119652761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).