N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride

C19H26ClN3O3 — CID 119627052

IUPACN-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-19(2,20)11-21-16(23)12-8-9-14-15(10-12)18(25)22(17(14)24)13-6-4-3-5-7-13;/h8-10,13H,3-7,11,20H2,1-2H3,(H,21,23);1H
InChIKeyBVOSWPMAFZDWNV-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.50
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride (PubChem CID 119627052) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
PubChem CID119627052
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC NameN-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-19(2,20)11-21-16(23)12-8-9-14-15(10-12)18(25)22(17(14)24)13-6-4-3-5-7-13;/h8-10,13H,3-7,11,20H2,1-2H3,(H,21,23);1H
InChIKeyBVOSWPMAFZDWNV-UHFFFAOYSA-N
XLogP2.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.50
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-(1-amino-2-methylpropan-2-yl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119522353
2-cyclohexyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108572001
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119628263
N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119997286
2-cyclohexyl-1,3-dioxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]isoindole-5-carboxamide
CID 108934796
N-(2-amino-2-methylpropyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 119626953
2-cyclohexyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 120946132
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86820762
2-cyclohexyl-1,3-dioxo-N-(pyrrolidin-2-ylmethyl)isoindole-5-carboxamide
CID 119511117

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride (CID 119627052) is N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride is CC(C)(N)CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The InChIKey is BVOSWPMAFZDWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-19(2,20)11-21-16(23)12-8-9-14-15(10-12)18(25)22(17(14)24)13-6-4-3-5-7-13;/h8-10,13H,3-7,11,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119627052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).