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

C35H46N2O3Si — CID 10886299

IUPAC(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESCC[C@@](CO)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C35H46N2O3Si/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/h6-19,26,37-38H,5,20-25,27H2,1-4H3,(H,36,39)/t35-/m0/s1
InChIKeyRKRLFZNQQRZDPC-DHUJRADRSA-N
MW570.85 g/mol
LogP5.96
Rot. Bonds14

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

(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide (PubChem CID 10886299) has the molecular formula C35H46N2O3Si and a molecular weight of 570.85 g/mol. Its IUPAC name is (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide.

Molecular Properties

Compound Name(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide
PubChem CID10886299
Molecular FormulaC35H46N2O3Si
Molecular Weight570.85 g/mol
Exact Mass570.33
IUPAC Name(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide
SMILESCC[C@@](CO)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C35H46N2O3Si/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/h6-19,26,37-38H,5,20-25,27H2,1-4H3,(H,36,39)/t35-/m0/s1
InChIKeyRKRLFZNQQRZDPC-DHUJRADRSA-N
XLogP5.96
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.85
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-formyl-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 10995377
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027444
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
CID 43591658
ethyl 4-[[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109027473
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
methyl 3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylpropanoate
CID 9344556
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993925
3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027454
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600

Frequently Asked Questions

What is the IUPAC name of (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The IUPAC name of (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide (CID 10886299) is (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide.
What is the SMILES notation for (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The canonical SMILES for (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide is CC[C@@](CO)(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-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
The InChIKey is RKRLFZNQQRZDPC-DHUJRADRSA-N. The full InChI is InChI=1S/C35H46N2O3Si/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/h6-19,26,37-38H,5,20-25,27H2,1-4H3,(H,36,39)/t35-/m0/s1.
What are the key properties of (4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide?
(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-ethyl-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide has a molecular weight of 570.85 g/mol, XLogP of 5.96, 14 rotatable bonds, 3 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-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]hexanamide is sourced from PubChem (CID 10886299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).