(2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide

C30H42N2O2Si — CID 70794970

IUPAC(2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide
SMILESCC#CC[C@@H](C/C=C\NC(=O)[C@@H](N)C(C)(C)C)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H42N2O2Si/c1-7-8-16-24(17-15-22-32-28(33)27(31)29(2,3)4)23-30(5,6)35(34,25-18-11-9-12-19-25)26-20-13-10-14-21-26/h9-15,18-22,24,27,34H,16-17,23,31H2,1-6H3,(H,32,33)/b22-15-/t24-,27+/m0/s1
InChIKeyPNUNJOPXNHRNNG-JUEIHDPHSA-N
MW490.76 g/mol
LogP4.33
Rot. Bonds10

About (2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide (PubChem CID 70794970) has the molecular formula C30H42N2O2Si and a molecular weight of 490.76 g/mol. Its IUPAC name is (2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide
PubChem CID70794970
Molecular FormulaC30H42N2O2Si
Molecular Weight490.76 g/mol
Exact Mass490.30
IUPAC Name(2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide
SMILESCC#CC[C@@H](C/C=C\NC(=O)[C@@H](N)C(C)(C)C)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H42N2O2Si/c1-7-8-16-24(17-15-22-32-28(33)27(31)29(2,3)4)23-30(5,6)35(34,25-18-11-9-12-19-25)26-20-13-10-14-21-26/h9-15,18-22,24,27,34H,16-17,23,31H2,1-6H3,(H,32,33)/b22-15-/t24-,27+/m0/s1
InChIKeyPNUNJOPXNHRNNG-JUEIHDPHSA-N
XLogP4.33
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.76
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide (CID 70794970) is (2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide is CC#CC[C@@H](C/C=C\NC(=O)[C@@H](N)C(C)(C)C)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide?
The InChIKey is PNUNJOPXNHRNNG-JUEIHDPHSA-N. The full InChI is InChI=1S/C30H42N2O2Si/c1-7-8-16-24(17-15-22-32-28(33)27(31)29(2,3)4)23-30(5,6)35(34,25-18-11-9-12-19-25)26-20-13-10-14-21-26/h9-15,18-22,24,27,34H,16-17,23,31H2,1-6H3,(H,32,33)/b22-15-/t24-,27+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide has a molecular weight of 490.76 g/mol, XLogP of 4.33, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(Z,4R)-4-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]oct-1-en-6-ynyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 70794970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).