5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C23H28N2O4 — CID 113188343

IUPAC5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CC(=O)N(c3ccccc3OC(C)C)C2)cc1
InChIInChI=1S/C23H28N2O4/c1-15(2)28-19-11-9-18(10-12-19)24-23(27)17-13-22(26)25(14-17)20-7-5-6-8-21(20)29-16(3)4/h5-12,15-17H,13-14H2,1-4H3,(H,24,27)
InChIKeyZAUCRJKYLOJUHZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.25
Rot. Bonds7

About 5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 113188343) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID113188343
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CC(=O)N(c3ccccc3OC(C)C)C2)cc1
InChIInChI=1S/C23H28N2O4/c1-15(2)28-19-11-9-18(10-12-19)24-23(27)17-13-22(26)25(14-17)20-7-5-6-8-21(20)29-16(3)4/h5-12,15-17H,13-14H2,1-4H3,(H,24,27)
InChIKeyZAUCRJKYLOJUHZ-UHFFFAOYSA-N
XLogP4.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188305
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
N-[4-(difluoromethoxy)phenyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78594673
N-(4-fluorophenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 579116
methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 168692995
5-oxo-1-(2-propan-2-yloxyphenyl)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113188240
N-cyclopentyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188245
(3S)-N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260458
N-(4-iodophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964415
1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113186155
N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188241
N-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159017

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 113188343) is 5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is CC(C)Oc1ccc(NC(=O)C2CC(=O)N(c3ccccc3OC(C)C)C2)cc1.
What is the InChIKey of 5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZAUCRJKYLOJUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-15(2)28-19-11-9-18(10-12-19)24-23(27)17-13-22(26)25(14-17)20-7-5-6-8-21(20)29-16(3)4/h5-12,15-17H,13-14H2,1-4H3,(H,24,27).
What are the key properties of 5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113188343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).