2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide

C25H31N3O3Si — CID 18392383

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1=O
InChIInChI=1S/C25H31N3O3Si/c1-25(2,3)32(4,5)31-22-12-7-6-11-20(22)23(29)27-21-13-14-28(24(21)30)17-19-10-8-9-18(15-19)16-26/h6-12,15,21H,13-14,17H2,1-5H3,(H,27,29)/t21-/m0/s1
InChIKeyRNNFLDAXHAULMT-NRFANRHFSA-N
MW449.63 g/mol
LogP4.47
Rot. Bonds6

About 2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide

2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 18392383) has the molecular formula C25H31N3O3Si and a molecular weight of 449.63 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
PubChem CID18392383
Molecular FormulaC25H31N3O3Si
Molecular Weight449.63 g/mol
Exact Mass449.21
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1=O
InChIInChI=1S/C25H31N3O3Si/c1-25(2,3)32(4,5)31-22-12-7-6-11-20(22)23(29)27-21-13-14-28(24(21)30)17-19-10-8-9-18(15-19)16-26/h6-12,15,21H,13-14,17H2,1-5H3,(H,27,29)/t21-/m0/s1
InChIKeyRNNFLDAXHAULMT-NRFANRHFSA-N
XLogP4.47
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.63
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-nitrobenzamide
CID 18392394
N-[1-[(3-fluorophenyl)methyl]-2-oxoazepan-3-yl]-2-methoxybenzamide
CID 56643350
3-[[(3S)-2-oxo-3-(pyridin-4-ylmethylamino)pyrrolidin-1-yl]methyl]benzonitrile
CID 70084864
2-[tert-butyl(dimethyl)silyl]oxy-N-(2,5-dioxo-7-oxabicyclo[4.1.0]heptan-3-yl)benzamide
CID 91389050
3-[[(3S)-3-[(1-benzylimidazol-2-yl)methylamino]-2-oxopyrrolidin-1-yl]methyl]benzonitrile
CID 70088268
N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenoxybenzenesulfonamide
CID 10789587
N-[(3S)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 129352847
2-hydroxy-N-[1-[(3-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 167554743
3-cyano-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113239507
5-chloro-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-6-methoxynaphthalene-2-sulfonamide
CID 54501431
(2R)-N-[(3R)-1-[(4-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 99832469
2-[2-[(3-cyanophenyl)methylamino]-2-oxoethoxy]-N-cyclopentylbenzamide
CID 167779349

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide (CID 18392383) is 2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide is CC(C)(C)[Si](C)(C)Oc1ccccc1C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is RNNFLDAXHAULMT-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31N3O3Si/c1-25(2,3)32(4,5)31-22-12-7-6-11-20(22)23(29)27-21-13-14-28(24(21)30)17-19-10-8-9-18(15-19)16-26/h6-12,15,21H,13-14,17H2,1-5H3,(H,27,29)/t21-/m0/s1.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide?
2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 449.63 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 18392383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).