(2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide

C18H29NO2Si2 — CID 10545626

IUPAC(2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide
SMILESC[C@@H](NC(=O)[C@H](C(=C=O)[Si](C)(C)C)[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C18H29NO2Si2/c1-14(15-11-9-8-10-12-15)19-18(21)17(23(5,6)7)16(13-20)22(2,3)4/h8-12,14,17H,1-7H3,(H,19,21)/t14-,17+/m1/s1
InChIKeyGFUHOLIPAWXWSS-PBHICJAKSA-N
MW347.61 g/mol
LogP4.21
Rot. Bonds6

About (2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide

(2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide (PubChem CID 10545626) has the molecular formula C18H29NO2Si2 and a molecular weight of 347.61 g/mol. Its IUPAC name is (2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide.

Molecular Properties

Compound Name(2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide
PubChem CID10545626
Molecular FormulaC18H29NO2Si2
Molecular Weight347.61 g/mol
Exact Mass347.17
IUPAC Name(2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide
SMILESC[C@@H](NC(=O)[C@H](C(=C=O)[Si](C)(C)C)[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C18H29NO2Si2/c1-14(15-11-9-8-10-12-15)19-18(21)17(23(5,6)7)16(13-20)22(2,3)4/h8-12,14,17H,1-7H3,(H,19,21)/t14-,17+/m1/s1
InChIKeyGFUHOLIPAWXWSS-PBHICJAKSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.61
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide?
The IUPAC name of (2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide (CID 10545626) is (2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide.
What is the SMILES notation for (2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide?
The canonical SMILES for (2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide is C[C@@H](NC(=O)[C@H](C(=C=O)[Si](C)(C)C)[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide?
The InChIKey is GFUHOLIPAWXWSS-PBHICJAKSA-N. The full InChI is InChI=1S/C18H29NO2Si2/c1-14(15-11-9-8-10-12-15)19-18(21)17(23(5,6)7)16(13-20)22(2,3)4/h8-12,14,17H,1-7H3,(H,19,21)/t14-,17+/m1/s1.
What are the key properties of (2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide?
(2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide has a molecular weight of 347.61 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-oxo-N-[(1R)-1-phenylethyl]-2,3-bis(trimethylsilyl)but-3-enamide is sourced from PubChem (CID 10545626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).