(2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide

C28H32N2O3 — CID 101334532

IUPAC(2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1C[C@](O)(c2ccccc2)C[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O3/c1-26(2,3)29-25(31)30-20-27(32,21-13-7-4-8-14-21)19-24(30)28(33,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24,32-33H,19-20H2,1-3H3,(H,29,31)/t24-,27-/m0/s1
InChIKeyZGUPATJBSOYQJB-IGKIAQTJSA-N
MW444.58 g/mol
LogP4.39
Rot. Bonds4

About (2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide

(2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide (PubChem CID 101334532) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is (2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide
PubChem CID101334532
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name(2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1C[C@](O)(c2ccccc2)C[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O3/c1-26(2,3)29-25(31)30-20-27(32,21-13-7-4-8-14-21)19-24(30)28(33,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24,32-33H,19-20H2,1-3H3,(H,29,31)/t24-,27-/m0/s1
InChIKeyZGUPATJBSOYQJB-IGKIAQTJSA-N
XLogP4.39
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide (CID 101334532) is (2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide is CC(C)(C)NC(=O)N1C[C@](O)(c2ccccc2)C[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide?
The InChIKey is ZGUPATJBSOYQJB-IGKIAQTJSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-26(2,3)29-25(31)30-20-27(32,21-13-7-4-8-14-21)19-24(30)28(33,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24,32-33H,19-20H2,1-3H3,(H,29,31)/t24-,27-/m0/s1.
What are the key properties of (2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide?
(2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-tert-butyl-4-hydroxy-2-[hydroxy(diphenyl)methyl]-4-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 101334532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).