N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide

C24H30N2O3 — CID 96564974

IUPACN-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
SMILESCC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C24H30N2O3/c1-17(2)22(24(29)26-15-9-14-20(26)16-27)25-23(28)21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-22,27H,9,14-16H2,1-2H3,(H,25,28)/t20-,22-/m1/s1
InChIKeyWVVFLXLYMPNREC-IFMALSPDSA-N
MW394.52 g/mol
LogP2.94
Rot. Bonds7

About N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide

N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide (PubChem CID 96564974) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
PubChem CID96564974
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
SMILESCC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C24H30N2O3/c1-17(2)22(24(29)26-15-9-14-20(26)16-27)25-23(28)21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-22,27H,9,14-16H2,1-2H3,(H,25,28)/t20-,22-/m1/s1
InChIKeyWVVFLXLYMPNREC-IFMALSPDSA-N
XLogP2.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
3-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 107217984
2-(hydroxymethyl)-N-(3-methyl-2-phenylbutyl)pyrrolidine-1-carboxamide
CID 111427979
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 61410735
N-[1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66260521
[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 61408635
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 62099075
N-[1-[2-[(benzylsulfonylamino)methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 11662110
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
(2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-[[(1R)-1-phenylethyl]-(2,2,2-trifluoroacetyl)amino]ethyl]pyrrolidin-1-yl]butan-2-yl]butanamide
CID 148863201
(2R)-2-[benzyl(methyl)amino]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 15351860

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide (CID 96564974) is N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide is CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1CO.
What is the InChIKey of N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide?
The InChIKey is WVVFLXLYMPNREC-IFMALSPDSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(2)22(24(29)26-15-9-14-20(26)16-27)25-23(28)21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,17,20-22,27H,9,14-16H2,1-2H3,(H,25,28)/t20-,22-/m1/s1.
What are the key properties of N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide?
N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide has a molecular weight of 394.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 96564974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).