N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride

C19H28ClN3O3 — CID 119588040

IUPACN-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCCCCN1C(=O)c2ccc(C(=O)NC(CN)CC(C)C)cc2C1=O.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-4-5-8-22-18(24)15-7-6-13(10-16(15)19(22)25)17(23)21-14(11-20)9-12(2)3;/h6-7,10,12,14H,4-5,8-9,11,20H2,1-3H3,(H,21,23);1H
InChIKeyZWSGDANQCFUZNS-UHFFFAOYSA-N
MW381.90 g/mol
LogP2.61
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride (PubChem CID 119588040) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
PubChem CID119588040
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCCCCN1C(=O)c2ccc(C(=O)NC(CN)CC(C)C)cc2C1=O.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-4-5-8-22-18(24)15-7-6-13(10-16(15)19(22)25)17(23)21-14(11-20)9-12(2)3;/h6-7,10,12,14H,4-5,8-9,11,20H2,1-3H3,(H,21,23);1H
InChIKeyZWSGDANQCFUZNS-UHFFFAOYSA-N
XLogP2.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 52.61
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-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 119587154
(2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119364341
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
N-(3-aminobutyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 119498610
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119508443
2-butyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 55768874
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444
N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119587214
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-(5-amino-2-methylphenyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 120568324

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride (CID 119588040) is N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride is CCCCN1C(=O)c2ccc(C(=O)NC(CN)CC(C)C)cc2C1=O.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The InChIKey is ZWSGDANQCFUZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-4-5-8-22-18(24)15-7-6-13(10-16(15)19(22)25)17(23)21-14(11-20)9-12(2)3;/h6-7,10,12,14H,4-5,8-9,11,20H2,1-3H3,(H,21,23);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119588040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).