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

C24H40N2O3Si — CID 10862968

IUPACtert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate
SMILESC=C([C@H](C)[C@](C)(NC(=O)OC(C)(C)C)C(=O)N(CC)CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H40N2O3Si/c1-11-26(12-2)21(27)24(8,25-22(28)29-23(5,6)7)18(3)19(4)30(9,10)20-16-14-13-15-17-20/h13-18H,4,11-12H2,1-3,5-10H3,(H,25,28)/t18-,24-/m0/s1
InChIKeyPFEKJPXRTFPTEK-UUOWRZLLSA-N
MW432.68 g/mol
LogP4.49
Rot. Bonds8

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

tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate (PubChem CID 10862968) has the molecular formula C24H40N2O3Si and a molecular weight of 432.68 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate
PubChem CID10862968
Molecular FormulaC24H40N2O3Si
Molecular Weight432.68 g/mol
Exact Mass432.28
IUPAC Nametert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate
SMILESC=C([C@H](C)[C@](C)(NC(=O)OC(C)(C)C)C(=O)N(CC)CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H40N2O3Si/c1-11-26(12-2)21(27)24(8,25-22(28)29-23(5,6)7)18(3)19(4)30(9,10)20-16-14-13-15-17-20/h13-18H,4,11-12H2,1-3,5-10H3,(H,25,28)/t18-,24-/m0/s1
InChIKeyPFEKJPXRTFPTEK-UUOWRZLLSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.68
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S,3S)-1-[dimethyl(phenyl)silyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 10760266
tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 100997661
tert-butyl N-[(4R)-4-acetamido-4-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-diphenylsilyl]butyl]carbamate
CID 138980071
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-[[(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-4-methylpentanoate
CID 10576118
tert-butyl N-[1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate
CID 5249575
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 10571594
tert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate
CID 10572507
tert-butyl N-[(2S,3R)-4-[dimethyl(phenyl)silyl]-3-methyl-1-morpholin-4-yl-1-oxopent-4-en-2-yl]carbamate
CID 10598870
tert-butyl N-[2-(dimethylamino)-2-oxoethyl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
CID 10620445
tert-butyl N-[1-(diethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
CID 10906655
2-[[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]amino]-N,N-diethyl-3-methylbutanamide
CID 10959358

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate (CID 10862968) is tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate is C=C([C@H](C)[C@](C)(NC(=O)OC(C)(C)C)C(=O)N(CC)CC)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate?
The InChIKey is PFEKJPXRTFPTEK-UUOWRZLLSA-N. The full InChI is InChI=1S/C24H40N2O3Si/c1-11-26(12-2)21(27)24(8,25-22(28)29-23(5,6)7)18(3)19(4)30(9,10)20-16-14-13-15-17-20/h13-18H,4,11-12H2,1-3,5-10H3,(H,25,28)/t18-,24-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate?
tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate has a molecular weight of 432.68 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-1-(diethylamino)-4-[dimethyl(phenyl)silyl]-2,3-dimethyl-1-oxopent-4-en-2-yl]carbamate is sourced from PubChem (CID 10862968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).