1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C23H28N2O4 — CID 113184695

IUPAC1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)Nc3ccccc3OC(C)C)CC2=O)cc1
InChIInChI=1S/C23H28N2O4/c1-16(2)29-21-7-5-4-6-20(21)24-23(27)18-14-22(26)25(15-18)13-12-17-8-10-19(28-3)11-9-17/h4-11,16,18H,12-15H2,1-3H3,(H,24,27)
InChIKeyBCDBTSRARNZLQQ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.51
Rot. Bonds8

About 1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 113184695) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID113184695
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)Nc3ccccc3OC(C)C)CC2=O)cc1
InChIInChI=1S/C23H28N2O4/c1-16(2)29-21-7-5-4-6-20(21)24-23(27)18-14-22(26)25(15-18)13-12-17-8-10-19(28-3)11-9-17/h4-11,16,18H,12-15H2,1-3H3,(H,24,27)
InChIKeyBCDBTSRARNZLQQ-UHFFFAOYSA-N
XLogP3.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113184576
N-(2-methoxyphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185346
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42989525
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 43034361
N-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184453
N-(4-acetylphenyl)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184701
(3S)-1-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767576
(3R)-5-oxo-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 95147392
N-(2-ethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185450
(3R)-N-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26884243
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 24979390

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 113184695) is 1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is COc1ccc(CCN2CC(C(=O)Nc3ccccc3OC(C)C)CC2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is BCDBTSRARNZLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(2)29-21-7-5-4-6-20(21)24-23(27)18-14-22(26)25(15-18)13-12-17-8-10-19(28-3)11-9-17/h4-11,16,18H,12-15H2,1-3H3,(H,24,27).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113184695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).