N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride

C16H22ClN3O3 — CID 119641849

IUPACN-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-4-16(17,5-2)9-18-13(20)10-6-7-11-12(8-10)15(22)19(3)14(11)21;/h6-8H,4-5,9,17H2,1-3H3,(H,18,20);1H
InChIKeyNHPLGISCEHZZHF-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.58
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride (PubChem CID 119641849) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
PubChem CID119641849
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-4-16(17,5-2)9-18-13(20)10-6-7-11-12(8-10)15(22)19(3)14(11)21;/h6-8H,4-5,9,17H2,1-3H3,(H,18,20);1H
InChIKeyNHPLGISCEHZZHF-UHFFFAOYSA-N
XLogP1.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119628263
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
2-methyl-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
CID 46679809
N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 78773962
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257
2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 120827153
N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
2-methyl-N-[[5-[[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]-3,6-dioxopiperazin-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211204
N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
CID 119641996
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119630318

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride (CID 119641849) is N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The InChIKey is NHPLGISCEHZZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c1-4-16(17,5-2)9-18-13(20)10-6-7-11-12(8-10)15(22)19(3)14(11)21;/h6-8H,4-5,9,17H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119641849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).