tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

C25H40N2O4Si — CID 11374604

IUPACtert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESC/C=C(/CN(CC(=O)N1CCC[C@H]1COC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H40N2O4Si/c1-8-21(32(6,7)22-14-10-9-11-15-22)17-26(24(29)31-25(2,3)4)18-23(28)27-16-12-13-20(27)19-30-5/h8-11,14-15,20H,12-13,16-19H2,1-7H3/b21-8-/t20-/m0/s1
InChIKeyJNKXZTWAQAWXCD-LBMUTPRNSA-N
MW460.69 g/mol
LogP3.96
Rot. Bonds8

About tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 11374604) has the molecular formula C25H40N2O4Si and a molecular weight of 460.69 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
PubChem CID11374604
Molecular FormulaC25H40N2O4Si
Molecular Weight460.69 g/mol
Exact Mass460.28
IUPAC Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESC/C=C(/CN(CC(=O)N1CCC[C@H]1COC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C25H40N2O4Si/c1-8-21(32(6,7)22-14-10-9-11-15-22)17-26(24(29)31-25(2,3)4)18-23(28)27-16-12-13-20(27)19-30-5/h8-11,14-15,20H,12-13,16-19H2,1-7H3/b21-8-/t20-/m0/s1
InChIKeyJNKXZTWAQAWXCD-LBMUTPRNSA-N
XLogP3.96
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.69
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate
CID 10665354
tert-butyl N-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
CID 11189251
tert-butyl N-[2-[(2S)-2-(benzamidomethyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)carbamate
CID 96522341
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 11352581
(2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 12714099
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
(4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72841991
tert-butyl N-[(4-formyl-2-pyridinyl)methyl]-N-[2-oxo-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]carbamate
CID 90375150
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
CID 175712806
tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate
CID 10957814
(2S)-2-(methoxymethyl)-1-[(1E)-4-methyl-1-phenylpenta-1,3-dien-3-yl]pyrrolidine
CID 11000172
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 11374604) is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is C/C=C(/CN(CC(=O)N1CCC[C@H]1COC)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is JNKXZTWAQAWXCD-LBMUTPRNSA-N. The full InChI is InChI=1S/C25H40N2O4Si/c1-8-21(32(6,7)22-14-10-9-11-15-22)17-26(24(29)31-25(2,3)4)18-23(28)27-16-12-13-20(27)19-30-5/h8-11,14-15,20H,12-13,16-19H2,1-7H3/b21-8-/t20-/m0/s1.
What are the key properties of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 460.69 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 11374604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).