N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride

C15H32Cl2N4O2 — CID 119641855

IUPACN-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CC(=O)N(CCN(C)C)C1.Cl.Cl
InChIInChI=1S/C15H30N4O2.2ClH/c1-5-15(16,6-2)11-17-14(21)12-9-13(20)19(10-12)8-7-18(3)4;;/h12H,5-11,16H2,1-4H3,(H,17,21);2*1H
InChIKeyUCNVVQMUYRIINI-UHFFFAOYSA-N
MW371.35 g/mol
LogP0.87
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119641855) has the molecular formula C15H32Cl2N4O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119641855
Molecular FormulaC15H32Cl2N4O2
Molecular Weight371.35 g/mol
Exact Mass370.19
IUPAC NameN-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CC(=O)N(CCN(C)C)C1.Cl.Cl
InChIInChI=1S/C15H30N4O2.2ClH/c1-5-15(16,6-2)11-17-14(21)12-9-13(20)19(10-12)8-7-18(3)4;;/h12H,5-11,16H2,1-4H3,(H,17,21);2*1H
InChIKeyUCNVVQMUYRIINI-UHFFFAOYSA-N
XLogP0.87
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119641392
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119497303
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
4-[[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353454
1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 50957220
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119654808
(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97192259
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119625881
1-[2-(dimethylamino)ethyl]-5-oxo-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 131927188
(3R)-1-[2-(dimethylamino)ethyl]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97207589

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride (CID 119641855) is N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride is CCC(N)(CC)CNC(=O)C1CC(=O)N(CCN(C)C)C1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is UCNVVQMUYRIINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.2ClH/c1-5-15(16,6-2)11-17-14(21)12-9-13(20)19(10-12)8-7-18(3)4;;/h12H,5-11,16H2,1-4H3,(H,17,21);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 371.35 g/mol, XLogP of 0.87, 8 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)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119641855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).