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

C23H28N2O4 — CID 113188284

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CC(=O)N(c3ccccc3OC(C)C)C2)c1
InChIInChI=1S/C23H28N2O4/c1-16(2)29-21-10-5-4-9-20(21)25-15-18(14-22(25)26)23(27)24-12-11-17-7-6-8-19(13-17)28-3/h4-10,13,16,18H,11-12,14-15H2,1-3H3,(H,24,27)
InChIKeyFKMMEUZEVYSZDE-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.19
Rot. Bonds8

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

N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 113188284) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID113188284
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CC(=O)N(c3ccccc3OC(C)C)C2)c1
InChIInChI=1S/C23H28N2O4/c1-16(2)29-21-10-5-4-9-20(21)25-15-18(14-22(25)26)23(27)24-12-11-17-7-6-8-19(13-17)28-3/h4-10,13,16,18H,11-12,14-15H2,1-3H3,(H,24,27)
InChIKeyFKMMEUZEVYSZDE-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188241
N-[2-(4-aminophenyl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119549566
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185970
1-(3,4-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186129
methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 168692995
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113184516
N-[2-(3-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188186
5-oxo-1-(2-propan-2-yloxyphenyl)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113188240
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113184576
1-(2-cyanophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113191756
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188397
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24624710

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 113188284) is N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is COc1cccc(CCNC(=O)C2CC(=O)N(c3ccccc3OC(C)C)C2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is FKMMEUZEVYSZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(2)29-21-10-5-4-9-20(21)25-15-18(14-22(25)26)23(27)24-12-11-17-7-6-8-19(13-17)28-3/h4-10,13,16,18H,11-12,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113188284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).