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

C21H34N2O3Si — CID 10572507

IUPACtert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate
SMILESC=C([C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H34N2O3Si/c1-15(16(2)27(8,9)17-13-11-10-12-14-17)18(19(24)23(6)7)22-20(25)26-21(3,4)5/h10-15,18H,2H2,1,3-9H3,(H,22,25)/t15-,18-/m0/s1
InChIKeyFYOBYDSVEKRBEM-YJBOKZPZSA-N
MW390.60 g/mol
LogP3.32
Rot. Bonds6

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

tert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate (PubChem CID 10572507) has the molecular formula C21H34N2O3Si and a molecular weight of 390.60 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate
PubChem CID10572507
Molecular FormulaC21H34N2O3Si
Molecular Weight390.60 g/mol
Exact Mass390.23
IUPAC Nametert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate
SMILESC=C([C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H34N2O3Si/c1-15(16(2)27(8,9)17-13-11-10-12-14-17)18(19(24)23(6)7)22-20(25)26-21(3,4)5/h10-15,18H,2H2,1,3-9H3,(H,22,25)/t15-,18-/m0/s1
InChIKeyFYOBYDSVEKRBEM-YJBOKZPZSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 53.32
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,3S)-1-(dimethylamino)-3-methyl-1-oxopent-4-en-2-yl]carbamate
CID 10777488
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86921437
tert-butyl N-(3-methyl-1-oxo-1-phenylbutan-2-yl)carbamate
CID 15743702
tert-butyl N-benzyl-N-[(3S)-2-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-yl]carbamate
CID 11589908
tert-butyl N-[1-[benzyl(methyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110409575
tert-butyl N-[(2S)-1-[amino(benzoyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 70354306
tert-butyl N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]carbamate
CID 14440793
tert-butyl N-[(1R)-3-hydroxy-1-[methyl(diphenyl)silyl]propyl]carbamate
CID 46221200
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate (CID 10572507) is tert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate is C=C([C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate?
The InChIKey is FYOBYDSVEKRBEM-YJBOKZPZSA-N. The full InChI is InChI=1S/C21H34N2O3Si/c1-15(16(2)27(8,9)17-13-11-10-12-14-17)18(19(24)23(6)7)22-20(25)26-21(3,4)5/h10-15,18H,2H2,1,3-9H3,(H,22,25)/t15-,18-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate?
tert-butyl N-[(2S,3R)-1-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate has a molecular weight of 390.60 g/mol, XLogP of 3.32, 6 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-(dimethylamino)-4-[dimethyl(phenyl)silyl]-3-methyl-1-oxopent-4-en-2-yl]carbamate is sourced from PubChem (CID 10572507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).