1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide

C22H31N3O3 — CID 51181758

IUPAC1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)NCCC(=O)N2CCCC2)CC1=O
InChIInChI=1S/C22H31N3O3/c1-3-16(2)18-8-4-5-9-19(18)25-15-17(14-21(25)27)22(28)23-11-10-20(26)24-12-6-7-13-24/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3,(H,23,28)
InChIKeyURKJPCWCQYHOQD-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.68
Rot. Bonds7

About 1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide

1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 51181758) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID51181758
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESCCC(C)c1ccccc1N1CC(C(=O)NCCC(=O)N2CCCC2)CC1=O
InChIInChI=1S/C22H31N3O3/c1-3-16(2)18-8-4-5-9-19(18)25-15-17(14-21(25)27)22(28)23-11-10-20(26)24-12-6-7-13-24/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3,(H,23,28)
InChIKeyURKJPCWCQYHOQD-UHFFFAOYSA-N
XLogP2.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-butan-2-ylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 86908073
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786
1-(2-butan-2-ylphenyl)-N-(1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78856916
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 9363496
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 9363499
1-(2-butan-2-ylphenyl)-5-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55333082
1-(2-butan-2-ylphenyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42989600
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8839338
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 2442336
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40602516
(3R)-1-[2-[(2S)-butan-2-yl]phenyl]-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 7922406

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide (CID 51181758) is 1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide is CCC(C)c1ccccc1N1CC(C(=O)NCCC(=O)N2CCCC2)CC1=O.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is URKJPCWCQYHOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-16(2)18-8-4-5-9-19(18)25-15-17(14-21(25)27)22(28)23-11-10-20(26)24-12-6-7-13-24/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3,(H,23,28).
What are the key properties of 1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide?
1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51181758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).