2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride

C17H24ClN3O3 — CID 119508443

IUPAC2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCCCCN1C(=O)c2ccc(C(=O)NCCNCC)cc2C1=O.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-3-5-10-20-16(22)13-7-6-12(11-14(13)17(20)23)15(21)19-9-8-18-4-2;/h6-7,11,18H,3-5,8-10H2,1-2H3,(H,19,21);1H
InChIKeyUJFMCDCHOXVPLJ-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.84
Rot. Bonds8

About 2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride

2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride (PubChem CID 119508443) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
PubChem CID119508443
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
SMILESCCCCN1C(=O)c2ccc(C(=O)NCCNCC)cc2C1=O.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-3-5-10-20-16(22)13-7-6-12(11-14(13)17(20)23)15(21)19-9-8-18-4-2;/h6-7,11,18H,3-5,8-10H2,1-2H3,(H,19,21);1H
InChIKeyUJFMCDCHOXVPLJ-UHFFFAOYSA-N
XLogP1.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
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
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271
2-butyl-N-[2-(dimethylamino)-2-oxoethyl]-1,3-dioxoisoindole-5-carboxamide
CID 9480685
2-butyl-N-[(4-chlorophenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 3380293
2-butyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 27756862
2-(3-methoxypropyl)-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108537943
N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide
CID 59622421
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The IUPAC name of 2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride (CID 119508443) is 2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride is CCCCN1C(=O)c2ccc(C(=O)NCCNCC)cc2C1=O.Cl.
What is the InChIKey of 2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
The InChIKey is UJFMCDCHOXVPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-3-5-10-20-16(22)13-7-6-12(11-14(13)17(20)23)15(21)19-9-8-18-4-2;/h6-7,11,18H,3-5,8-10H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride?
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119508443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).