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

C19H28ClN3O3 — CID 119656047

IUPACN-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCCCCN1C(=O)c2ccc(C(=O)N(C)CC(C)(C)CN)cc2C1=O.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-5-6-9-22-17(24)14-8-7-13(10-15(14)18(22)25)16(23)21(4)12-19(2,3)11-20;/h7-8,10H,5-6,9,11-12,20H2,1-4H3;1H
InChIKeyIHHIIPIHUCYICL-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.56
Rot. Bonds7

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

N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride (PubChem CID 119656047) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
PubChem CID119656047
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCCCCN1C(=O)c2ccc(C(=O)N(C)CC(C)(C)CN)cc2C1=O.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-5-6-9-22-17(24)14-8-7-13(10-15(14)18(22)25)16(23)21(4)12-19(2,3)11-20;/h7-8,10H,5-6,9,11-12,20H2,1-4H3;1H
InChIKeyIHHIIPIHUCYICL-UHFFFAOYSA-N
XLogP2.56
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 32906535
2-butyl-N-[2-(dimethylamino)-2-oxoethyl]-1,3-dioxoisoindole-5-carboxamide
CID 9480685
1-(2-butyl-1,3-dioxoisoindole-5-carbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55986516
2-butyl-N-methyl-N-[(2-nitrophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 46687418
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 119197950
2-butyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 8914540
N-(3-amino-2,2-dimethylpropyl)-4-[ethyl(propyl)amino]-N-methylbenzamide;dihydrochloride
CID 119652761
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119508443

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride (CID 119656047) is N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride is CCCCN1C(=O)c2ccc(C(=O)N(C)CC(C)(C)CN)cc2C1=O.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The InChIKey is IHHIIPIHUCYICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-5-6-9-22-17(24)14-8-7-13(10-15(14)18(22)25)16(23)21(4)12-19(2,3)11-20;/h7-8,10H,5-6,9,11-12,20H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119656047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).