N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C25H31N3O3 — CID 42998707

IUPACN-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2CC(=O)N(CCc3ccccc3)C2)c(C)c1
InChIInChI=1S/C25H31N3O3/c1-17-12-18(2)24(19(3)13-17)26-22(29)16-27(4)25(31)21-14-23(30)28(15-21)11-10-20-8-6-5-7-9-20/h5-9,12-13,21H,10-11,14-16H2,1-4H3,(H,26,29)
InChIKeyXMQQCKUNMKQRTL-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.10
Rot. Bonds7

About N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 42998707) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID42998707
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C2CC(=O)N(CCc3ccccc3)C2)c(C)c1
InChIInChI=1S/C25H31N3O3/c1-17-12-18(2)24(19(3)13-17)26-22(29)16-27(4)25(31)21-14-23(30)28(15-21)11-10-20-8-6-5-7-9-20/h5-9,12-13,21H,10-11,14-16H2,1-4H3,(H,26,29)
InChIKeyXMQQCKUNMKQRTL-UHFFFAOYSA-N
XLogP3.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 26085822
1-(4-chlorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 55834695
N-(2-hydroxy-2-methylpropyl)-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 111543092
1-(3,5-difluorophenyl)-N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 55997845
N-methyl-5-oxo-1-(2-phenylethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 86920305
(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 30247534
N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113184178
N-benzyl-1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113185793
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51190222
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51156736
(3S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 8620724

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 42998707) is N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)C2CC(=O)N(CCc3ccccc3)C2)c(C)c1.
What is the InChIKey of N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is XMQQCKUNMKQRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-17-12-18(2)24(19(3)13-17)26-22(29)16-27(4)25(31)21-14-23(30)28(15-21)11-10-20-8-6-5-7-9-20/h5-9,12-13,21H,10-11,14-16H2,1-4H3,(H,26,29).
What are the key properties of N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42998707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).