2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

C22H37N3O3 — CID 177047890

IUPAC2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C22H37N3O3/c1-15(2)16-9-6-12-23(16)19(26)17-10-7-13-24(17)20(27)18-11-8-14-25(18)21(28)22(3,4)5/h15-18H,6-14H2,1-5H3
InChIKeyJKCXHOFIJQXKJM-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.66
Rot. Bonds3

About 2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 177047890) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
PubChem CID177047890
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
SMILESCC(C)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(C)(C)C
InChIInChI=1S/C22H37N3O3/c1-15(2)16-9-6-12-23(16)19(26)17-10-7-13-24(17)20(27)18-11-8-14-25(18)21(28)22(3,4)5/h15-18H,6-14H2,1-5H3
InChIKeyJKCXHOFIJQXKJM-UHFFFAOYSA-N
XLogP2.66
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 130562121
(4R)-3-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143191
1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063
1-(2-acetylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 58171936
(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 79014107
[(2R)-piperidin-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 104914149
1-(2,2-dimethylpropanoyl)-N-[(2R)-1-hydroxypropan-2-yl]pyrrolidine-2-carboxamide
CID 79031217
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 119434406
N,N-dimethyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 115593303
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119434405
(2S)-1-(2,2-dimethylpropanoyl)azetidine-2-carboxylic acid
CID 130184716
1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 71328856

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one (CID 177047890) is 2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one is CC(C)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is JKCXHOFIJQXKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-15(2)16-9-6-12-23(16)19(26)17-10-7-13-24(17)20(27)18-11-8-14-25(18)21(28)22(3,4)5/h15-18H,6-14H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 391.56 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-[2-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 177047890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).