(2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

C21H32N2O4 — CID 92734332

IUPAC(2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(CCN2C(=O)CC[C@@]2(C)C(=O)NCCC(C)C)c(OC)c1
InChIInChI=1S/C21H32N2O4/c1-15(2)9-12-22-20(25)21(3)11-8-19(24)23(21)13-10-16-6-7-17(26-4)14-18(16)27-5/h6-7,14-15H,8-13H2,1-5H3,(H,22,25)/t21-/m0/s1
InChIKeyZOYSZWOTCRRBQY-NRFANRHFSA-N
MW376.50 g/mol
LogP2.79
Rot. Bonds9

About (2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide

(2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 92734332) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is (2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID92734332
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name(2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(CCN2C(=O)CC[C@@]2(C)C(=O)NCCC(C)C)c(OC)c1
InChIInChI=1S/C21H32N2O4/c1-15(2)9-12-22-20(25)21(3)11-8-19(24)23(21)13-10-16-6-7-17(26-4)14-18(16)27-5/h6-7,14-15H,8-13H2,1-5H3,(H,22,25)/t21-/m0/s1
InChIKeyZOYSZWOTCRRBQY-NRFANRHFSA-N
XLogP2.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734417
2-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273189
2-methyl-N,1-bis(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 46247100
(2R)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92734308
(2S)-2-methyl-N-(3-methylbutyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 92734293
2-(2,4-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide
CID 46259459
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 46247133
2-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide
CID 71161441
(2R)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92731008
(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92731010
(3R)-2-(3,5-dimethoxyphenyl)-3-methyl-N-(3-methylbutyl)-1-oxo-4,5-dihydro-2-benzazepine-3-carboxamide
CID 92867333
(2R)-1-[(5-bromo-2-methoxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92696010

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide (CID 92734332) is (2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide is COc1ccc(CCN2C(=O)CC[C@@]2(C)C(=O)NCCC(C)C)c(OC)c1.
What is the InChIKey of (2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZOYSZWOTCRRBQY-NRFANRHFSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-15(2)9-12-22-20(25)21(3)11-8-19(24)23(21)13-10-16-6-7-17(26-4)14-18(16)27-5/h6-7,14-15H,8-13H2,1-5H3,(H,22,25)/t21-/m0/s1.
What are the key properties of (2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 92734332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).