(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide

C35H44N2O3Si — CID 10995377

IUPAC(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESCC[C@@](C=O)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C35H44N2O3Si/c1-5-35(27-38,22-20-33(39)36-24-21-28-26-37-32-19-13-12-18-31(28)32)23-25-40-41(34(2,3)4,29-14-8-6-9-15-29)30-16-10-7-11-17-30/h6-19,26-27,37H,5,20-25H2,1-4H3,(H,36,39)/t35-/m0/s1
InChIKeyJRRABNJBUFULSO-DHUJRADRSA-N
MW568.83 g/mol
LogP6.17
Rot. Bonds14

About (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide

(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide (PubChem CID 10995377) has the molecular formula C35H44N2O3Si and a molecular weight of 568.83 g/mol. Its IUPAC name is (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide
PubChem CID10995377
Molecular FormulaC35H44N2O3Si
Molecular Weight568.83 g/mol
Exact Mass568.31
IUPAC Name(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESCC[C@@](C=O)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C35H44N2O3Si/c1-5-35(27-38,22-20-33(39)36-24-21-28-26-37-32-19-13-12-18-31(28)32)23-25-40-41(34(2,3)4,29-14-8-6-9-15-29)30-16-10-7-11-17-30/h6-19,26-27,37H,5,20-25H2,1-4H3,(H,36,39)/t35-/m0/s1
InChIKeyJRRABNJBUFULSO-DHUJRADRSA-N
XLogP6.17
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.83
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 10886299
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027444
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
CID 43591658
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
ethyl 4-[[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109027473
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124

Frequently Asked Questions

What is the IUPAC name of (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The IUPAC name of (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide (CID 10995377) is (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide.
What is the SMILES notation for (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The canonical SMILES for (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide is CC[C@@](C=O)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The InChIKey is JRRABNJBUFULSO-DHUJRADRSA-N. The full InChI is InChI=1S/C35H44N2O3Si/c1-5-35(27-38,22-20-33(39)36-24-21-28-26-37-32-19-13-12-18-31(28)32)23-25-40-41(34(2,3)4,29-14-8-6-9-15-29)30-16-10-7-11-17-30/h6-19,26-27,37H,5,20-25H2,1-4H3,(H,36,39)/t35-/m0/s1.
What are the key properties of (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide has a molecular weight of 568.83 g/mol, XLogP of 6.17, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 10995377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).