1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one

C26H32N2O2 — CID 102440439

IUPAC1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[C@H]1C[C@@H](C(=O)N2CCCC2)C(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C26H32N2O2/c1-25(2,3)23(29)22-18-21(24(30)28-16-10-11-17-28)26(27-22,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,21-22,27H,10-11,16-18H2,1-3H3/t21-,22+/m0/s1
InChIKeyCHVXKHSNSYXNRN-FCHUYYIVSA-N
MW404.55 g/mol
LogP4.15
Rot. Bonds4

About 1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one

1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 102440439) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID102440439
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)[C@H]1C[C@@H](C(=O)N2CCCC2)C(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C26H32N2O2/c1-25(2,3)23(29)22-18-21(24(30)28-16-10-11-17-28)26(27-22,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,21-22,27H,10-11,16-18H2,1-3H3/t21-,22+/m0/s1
InChIKeyCHVXKHSNSYXNRN-FCHUYYIVSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one (CID 102440439) is 1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)[C@H]1C[C@@H](C(=O)N2CCCC2)C(c2ccccc2)(c2ccccc2)N1.
What is the InChIKey of 1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is CHVXKHSNSYXNRN-FCHUYYIVSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-25(2,3)23(29)22-18-21(24(30)28-16-10-11-17-28)26(27-22,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,21-22,27H,10-11,16-18H2,1-3H3/t21-,22+/m0/s1.
What are the key properties of 1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one?
1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 404.55 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-5,5-diphenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 102440439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).