(3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C20H31N3O3 — CID 51940764

IUPAC(3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1[C@H](CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)N(C)C
InChIInChI=1S/C20H31N3O3/c1-14(2)12-23-13-15(10-19(23)24)20(25)21-11-17(22(3)4)16-8-6-7-9-18(16)26-5/h6-9,14-15,17H,10-13H2,1-5H3,(H,21,25)/t15-,17+/m1/s1
InChIKeyVGKCRFOMRDIZLK-WBVHZDCISA-N
MW361.49 g/mol
LogP1.92
Rot. Bonds8

About (3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51940764) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51940764
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name(3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1[C@H](CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)N(C)C
InChIInChI=1S/C20H31N3O3/c1-14(2)12-23-13-15(10-19(23)24)20(25)21-11-17(22(3)4)16-8-6-7-9-18(16)26-5/h6-9,14-15,17H,10-13H2,1-5H3,(H,21,25)/t15-,17+/m1/s1
InChIKeyVGKCRFOMRDIZLK-WBVHZDCISA-N
XLogP1.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55337484
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 4787589
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 9465398
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 37004002
N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66109437
4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9220209
1-[2-(2-methoxyphenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184412
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
(3S)-1-(2-methylpropyl)-5-oxo-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 51936826
(3S)-1-(2-methylpropyl)-5-oxo-N-(3-phenylsulfanylpropyl)pyrrolidine-3-carboxamide
CID 37081636

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 51940764) is (3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1[C@H](CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)N(C)C.
What is the InChIKey of (3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VGKCRFOMRDIZLK-WBVHZDCISA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14(2)12-23-13-15(10-19(23)24)20(25)21-11-17(22(3)4)16-8-6-7-9-18(16)26-5/h6-9,14-15,17H,10-13H2,1-5H3,(H,21,25)/t15-,17+/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51940764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).