tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate

C23H36N2O4Si — CID 10598870

IUPACtert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate
SMILESC=C([C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H36N2O4Si/c1-17(18(2)30(6,7)19-11-9-8-10-12-19)20(24-22(27)29-23(3,4)5)21(26)25-13-15-28-16-14-25/h8-12,17,20H,2,13-16H2,1,3-7H3,(H,24,27)/t17-,20-/m0/s1
InChIKeyRGDDNVPZJMOMHE-PXNSSMCTSA-N
MW432.64 g/mol
LogP3.09
Rot. Bonds6

About tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate

tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate (PubChem CID 10598870) has the molecular formula C23H36N2O4Si and a molecular weight of 432.64 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate
PubChem CID10598870
Molecular FormulaC23H36N2O4Si
Molecular Weight432.64 g/mol
Exact Mass432.24
IUPAC Nametert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate
SMILESC=C([C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H36N2O4Si/c1-17(18(2)30(6,7)19-11-9-8-10-12-19)20(24-22(27)29-23(3,4)5)21(26)25-13-15-28-16-14-25/h8-12,17,20H,2,13-16H2,1,3-7H3,(H,24,27)/t17-,20-/m0/s1
InChIKeyRGDDNVPZJMOMHE-PXNSSMCTSA-N
XLogP3.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.64
LogP ≤ 53.09
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

tert-butyl N-[(1S)-1-[[(E,1S)-1-benzyl-4-morpholino-4-oxo-but-2-enyl]carbamoyl]-3-methyl-butyl]carbamate
CID 71598351
tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate
CID 10862968
tert-butyl N-[(2S)-1-[[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 60201108
tert-butyl N-[(2R)-1-[[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101777670
tert-butyl N-[(2S)-1-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 101807976
methyl (3S)-2-[[3-[dimethyl(phenyl)silyl]-2-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoate
CID 166446787
methyl (2S)-2-[[(E,2S)-5-[4-[ditert-butyl(fluoro)silyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]amino]propanoate
CID 177386597
methyl (2S)-2-[[(E,2S)-5-[4-[fluoro-di(propan-2-yl)silyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]amino]propanoate
CID 177616383
tert-butyl N-[3-[(2-methylpropan-2-yl)oxy]-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]carbamate
CID 45108964
2-[[(2R,3S)-3-[dimethyl(phenyl)silyl]-2,4-dimethylpentanoyl]amino]ethyl N,N-di(propan-2-yl)carbamate
CID 10455610
methyl (2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 10571659
methyl (2S)-2-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-4-methylpentanoate
CID 10576118

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate (CID 10598870) is tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate is C=C([C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate?
The InChIKey is RGDDNVPZJMOMHE-PXNSSMCTSA-N. The full InChI is InChI=1S/C23H36N2O4Si/c1-17(18(2)30(6,7)19-11-9-8-10-12-19)20(24-22(27)29-23(3,4)5)21(26)25-13-15-28-16-14-25/h8-12,17,20H,2,13-16H2,1,3-7H3,(H,24,27)/t17-,20-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate?
tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate has a molecular weight of 432.64 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate is sourced from PubChem (CID 10598870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).