N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride

C18H26ClN3O3 — CID 119641489

IUPACN-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-3-18(19,4-2)12-20-17(24)14-7-5-13(6-8-14)11-21-15(22)9-10-16(21)23;/h5-8H,3-4,9-12,19H2,1-2H3,(H,20,24);1H
InChIKeyVCVYXHCERZPAIF-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.00
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride

N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride (PubChem CID 119641489) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
PubChem CID119641489
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-3-18(19,4-2)12-20-17(24)14-7-5-13(6-8-14)11-21-15(22)9-10-16(21)23;/h5-8H,3-4,9-12,19H2,1-2H3,(H,20,24);1H
InChIKeyVCVYXHCERZPAIF-UHFFFAOYSA-N
XLogP2.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.00
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-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride
CID 119641104
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(methylamino)propyl]benzamide
CID 119431505
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
CID 51195030
N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27682911
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 71890893
N-(2-amino-2-ethylbutyl)-4-(dimethylamino)benzamide
CID 115305742
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515
N-[(3,5-difluorophenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55596850
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769
N-(2-amino-2-ethylbutyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119641849
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 18202917
N-(2-amino-2-ethylbutyl)naphthalene-2-carboxamide
CID 81485257

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride (CID 119641489) is N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride is CCC(N)(CC)CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
The InChIKey is VCVYXHCERZPAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-3-18(19,4-2)12-20-17(24)14-7-5-13(6-8-14)11-21-15(22)9-10-16(21)23;/h5-8H,3-4,9-12,19H2,1-2H3,(H,20,24);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 2.00, 7 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)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119641489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).