1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C22H25N3O4 — CID 113189061

IUPAC1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2CC(C(=O)Nc3ccccc3OC(C)C)CC2=O)c1
InChIInChI=1S/C22H25N3O4/c1-14(2)29-20-10-5-4-9-19(20)24-22(28)16-11-21(27)25(13-16)18-8-6-7-17(12-18)23-15(3)26/h4-10,12,14,16H,11,13H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyZGPAVPFLOVYHAR-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.42
Rot. Bonds6

About 1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 113189061) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID113189061
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2CC(C(=O)Nc3ccccc3OC(C)C)CC2=O)c1
InChIInChI=1S/C22H25N3O4/c1-14(2)29-20-10-5-4-9-19(20)24-22(28)16-11-21(27)25(13-16)18-8-6-7-17(12-18)23-15(3)26/h4-10,12,14,16H,11,13H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyZGPAVPFLOVYHAR-UHFFFAOYSA-N
XLogP3.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727131
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-1-(3-acetamidophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727013
1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50838030
(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727099
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3R)-1-(4-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965794
N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947127
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727068
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 113189061) is 1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is CC(=O)Nc1cccc(N2CC(C(=O)Nc3ccccc3OC(C)C)CC2=O)c1.
What is the InChIKey of 1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZGPAVPFLOVYHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14(2)29-20-10-5-4-9-19(20)24-22(28)16-11-21(27)25(13-16)18-8-6-7-17(12-18)23-15(3)26/h4-10,12,14,16H,11,13H2,1-3H3,(H,23,26)(H,24,28).
What are the key properties of 1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113189061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).