N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide

C18H31NO3Si — CID 101089540

IUPACN-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide
SMILESC=C(C(=O)NC(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)c1ccco1
InChIInChI=1S/C18H31NO3Si/c1-13(16(20)19-17(2,3)4)15(14-11-10-12-21-14)22-23(8,9)18(5,6)7/h10-12,15H,1H2,2-9H3,(H,19,20)/t15-/m0/s1
InChIKeySGNUJJQMSQRMDB-HNNXBMFYSA-N
MW337.54 g/mol
LogP4.81
Rot. Bonds5

About N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide

N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide (PubChem CID 101089540) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide
PubChem CID101089540
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC NameN-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide
SMILESC=C(C(=O)NC(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)c1ccco1
InChIInChI=1S/C18H31NO3Si/c1-13(16(20)19-17(2,3)4)15(14-11-10-12-21-14)22-23(8,9)18(5,6)7/h10-12,15H,1H2,2-9H3,(H,19,20)/t15-/m0/s1
InChIKeySGNUJJQMSQRMDB-HNNXBMFYSA-N
XLogP4.81
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide?
The IUPAC name of N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide (CID 101089540) is N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide?
The canonical SMILES for N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide is C=C(C(=O)NC(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)c1ccco1.
What is the InChIKey of N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide?
The InChIKey is SGNUJJQMSQRMDB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-13(16(20)19-17(2,3)4)15(14-11-10-12-21-14)22-23(8,9)18(5,6)7/h10-12,15H,1H2,2-9H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide?
N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide has a molecular weight of 337.54 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-(furan-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 101089540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).