(2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide

C30H44N2O2Si — CID 58139606

IUPAC(2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide
SMILESC/C=C\C[C@@H](C/C=C\NC(=O)[C@@H](N)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H44N2O2Si/c1-8-9-17-24(18-16-23-32-28(33)27(31)29(2,3)4)34-35(30(5,6)7,25-19-12-10-13-20-25)26-21-14-11-15-22-26/h8-16,19-24,27H,17-18,31H2,1-7H3,(H,32,33)/b9-8-,23-16-/t24-,27+/m0/s1
InChIKeyYHAXXWLQLHLQHB-SCYKZSNXSA-N
MW492.78 g/mol
LogP5.29
Rot. Bonds10

About (2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide (PubChem CID 58139606) has the molecular formula C30H44N2O2Si and a molecular weight of 492.78 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide
PubChem CID58139606
Molecular FormulaC30H44N2O2Si
Molecular Weight492.78 g/mol
Exact Mass492.32
IUPAC Name(2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide
SMILESC/C=C\C[C@@H](C/C=C\NC(=O)[C@@H](N)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H44N2O2Si/c1-8-9-17-24(18-16-23-32-28(33)27(31)29(2,3)4)34-35(30(5,6)7,25-19-12-10-13-20-25)26-21-14-11-15-22-26/h8-16,19-24,27H,17-18,31H2,1-7H3,(H,32,33)/b9-8-,23-16-/t24-,27+/m0/s1
InChIKeyYHAXXWLQLHLQHB-SCYKZSNXSA-N
XLogP5.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.78
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide (CID 58139606) is (2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide is C/C=C\C[C@@H](C/C=C\NC(=O)[C@@H](N)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide?
The InChIKey is YHAXXWLQLHLQHB-SCYKZSNXSA-N. The full InChI is InChI=1S/C30H44N2O2Si/c1-8-9-17-24(18-16-23-32-28(33)27(31)29(2,3)4)34-35(30(5,6)7,25-19-12-10-13-20-25)26-21-14-11-15-22-26/h8-16,19-24,27H,17-18,31H2,1-7H3,(H,32,33)/b9-8-,23-16-/t24-,27+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide has a molecular weight of 492.78 g/mol, XLogP of 5.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1Z,4S,6Z)-4-[tert-butyl(diphenyl)silyl]oxyocta-1,6-dienyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 58139606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).