N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride

C17H25Cl2N3O2 — CID 119656804

IUPACN-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-17(2,10-19)11-20(3)16(23)12-8-15(22)21(9-12)14-6-4-13(18)5-7-14;/h4-7,12H,8-11,19H2,1-3H3;1H
InChIKeyGVTHNXASSGDAJN-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.56
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119656804) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119656804
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C17H24ClN3O2.ClH/c1-17(2,10-19)11-20(3)16(23)12-8-15(22)21(9-12)14-6-4-13(18)5-7-14;/h4-7,12H,8-11,19H2,1-3H3;1H
InChIKeyGVTHNXASSGDAJN-UHFFFAOYSA-N
XLogP2.56
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119656166
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
(3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9391631
1-(4-chlorophenyl)-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 87024320
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119630418
N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119654808
N-(3-amino-2,2-dimethylpropyl)-1-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 119657051
1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 55834695
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119524316

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119656804) is N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is GVTHNXASSGDAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2.ClH/c1-17(2,10-19)11-20(3)16(23)12-8-15(22)21(9-12)14-6-4-13(18)5-7-14;/h4-7,12H,8-11,19H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 374.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119656804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).