N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C17H24BrN3O2 — CID 119656166

IUPACN-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C17H24BrN3O2/c1-17(2,10-19)11-20(3)16(23)12-7-15(22)21(9-12)14-6-4-5-13(18)8-14/h4-6,8,12H,7,9-11,19H2,1-3H3
InChIKeyODQNNTCYIHTTDL-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.25
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 119656166) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID119656166
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C17H24BrN3O2/c1-17(2,10-19)11-20(3)16(23)12-7-15(22)21(9-12)14-6-4-5-13(18)8-14/h4-6,8,12H,7,9-11,19H2,1-3H3
InChIKeyODQNNTCYIHTTDL-UHFFFAOYSA-N
XLogP2.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55675481
N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119656804
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119608316
1-(3-bromophenyl)-5-oxo-N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55664552
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119575241
1-(3-bromophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 42952777
2-[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 119194539
1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 46581216
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
CID 119633918
1-(3-bromophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 42952883

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 119656166) is N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(CC(C)(C)CN)C(=O)C1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ODQNNTCYIHTTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-17(2,10-19)11-20(3)16(23)12-7-15(22)21(9-12)14-6-4-5-13(18)8-14/h4-6,8,12H,7,9-11,19H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-1-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 2.25, 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-(3-bromophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119656166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).