tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate

C24H40N2O3Si — CID 11026426

IUPACtert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESC/C=C(/CN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N(CC)CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H40N2O3Si/c1-10-20(30(8,9)21-16-14-13-15-17-21)18-26(23(28)29-24(5,6)7)19(4)22(27)25(11-2)12-3/h10,13-17,19H,11-12,18H2,1-9H3/b20-10-/t19-/m0/s1
InChIKeyOCPYIQOKHRXJMB-LVWFPGDPSA-N
MW432.68 g/mol
LogP4.58
Rot. Bonds8

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

tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (PubChem CID 11026426) has the molecular formula C24H40N2O3Si and a molecular weight of 432.68 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
PubChem CID11026426
Molecular FormulaC24H40N2O3Si
Molecular Weight432.68 g/mol
Exact Mass432.28
IUPAC Nametert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate
SMILESC/C=C(/CN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N(CC)CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C24H40N2O3Si/c1-10-20(30(8,9)21-16-14-13-15-17-21)18-26(23(28)29-24(5,6)7)19(4)22(27)25(11-2)12-3/h10,13-17,19H,11-12,18H2,1-9H3/b20-10-/t19-/m0/s1
InChIKeyOCPYIQOKHRXJMB-LVWFPGDPSA-N
XLogP4.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.68
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate (CID 11026426) is tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is C/C=C(/CN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N(CC)CC)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
The InChIKey is OCPYIQOKHRXJMB-LVWFPGDPSA-N. The full InChI is InChI=1S/C24H40N2O3Si/c1-10-20(30(8,9)21-16-14-13-15-17-21)18-26(23(28)29-24(5,6)7)19(4)22(27)25(11-2)12-3/h10,13-17,19H,11-12,18H2,1-9H3/b20-10-/t19-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate?
tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate has a molecular weight of 432.68 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]-N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]carbamate is sourced from PubChem (CID 11026426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).