(Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide

C35H61NO2Si — CID 163319724

IUPAC(Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide
SMILESC/C=C\CC[C@@H](CC)C(=O)N(CCC[C@@H](CC)[C@@H](CC/C(C)=C/C)O[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C35H61NO2Si/c1-11-15-17-23-32(14-4)34(37)36(28-30-21-18-16-19-22-30)27-20-24-31(13-3)33(26-25-29(5)12-2)38-39(9,10)35(6,7)8/h11-12,15-16,18-19,21-22,31-33H,13-14,17,20,23-28H2,1-10H3/b15-11-,29-12+/t31-,32-,33-/m1/s1
InChIKeyCKYGQBPKQOSOQV-NJFVOMPUSA-N
MW555.96 g/mol
LogP10.34
Rot. Bonds18

About (Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide

(Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide (PubChem CID 163319724) has the molecular formula C35H61NO2Si and a molecular weight of 555.96 g/mol. Its IUPAC name is (Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide.

Molecular Properties

Compound Name(Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide
PubChem CID163319724
Molecular FormulaC35H61NO2Si
Molecular Weight555.96 g/mol
Exact Mass555.45
IUPAC Name(Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide
SMILESC/C=C\CC[C@@H](CC)C(=O)N(CCC[C@@H](CC)[C@@H](CC/C(C)=C/C)O[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C35H61NO2Si/c1-11-15-17-23-32(14-4)34(37)36(28-30-21-18-16-19-22-30)27-20-24-31(13-3)33(26-25-29(5)12-2)38-39(9,10)35(6,7)8/h11-12,15-16,18-19,21-22,31-33H,13-14,17,20,23-28H2,1-10H3/b15-11-,29-12+/t31-,32-,33-/m1/s1
InChIKeyCKYGQBPKQOSOQV-NJFVOMPUSA-N
XLogP10.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.96
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-1-phenylethyl]-N-[(E)-3-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
CID 11177945
N-benzyl-N-methyl-3-trimethylsilyloxybutanamide
CID 11808073
(2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one
CID 101353143
(3R)-1-benzyl-3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]pyrrolidin-2-one
CID 134969576
5-[tert-butyl(dimethyl)silyl]oxy-N-(2-phenylethyl)pentanamide
CID 135031643
(3S)-1-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]pyrrolidin-2-one
CID 162416997
(3R,10R,11R,E)-1-benzyl-10-((tert-butyldimethylsilyl)oxy)-3,11-diethyl-7-methylazacyclotetradec-6-en-2-one
CID 163319725
(3R,5S)-1-benzyl-3-fluoro-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidin-2-one
CID 101170043
(S)-1-Benzyl-5-(((tert-butyldimethylsilyl)oxy)methyl)pyrrolidin-2-one
CID 10881725
1-Benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 19900198
(4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one
CID 59674854
(4R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylpyrrolidin-2-one
CID 60003986

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide?
The IUPAC name of (Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide (CID 163319724) is (Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide.
What is the SMILES notation for (Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide?
The canonical SMILES for (Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide is C/C=C\CC[C@@H](CC)C(=O)N(CCC[C@@H](CC)[C@@H](CC/C(C)=C/C)O[Si](C)(C)C(C)(C)C)Cc1ccccc1.
What is the InChIKey of (Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide?
The InChIKey is CKYGQBPKQOSOQV-NJFVOMPUSA-N. The full InChI is InChI=1S/C35H61NO2Si/c1-11-15-17-23-32(14-4)34(37)36(28-30-21-18-16-19-22-30)27-20-24-31(13-3)33(26-25-29(5)12-2)38-39(9,10)35(6,7)8/h11-12,15-16,18-19,21-22,31-33H,13-14,17,20,23-28H2,1-10H3/b15-11-,29-12+/t31-,32-,33-/m1/s1.
What are the key properties of (Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide?
(Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide has a molecular weight of 555.96 g/mol, XLogP of 10.34, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-N-benzyl-N-[(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-8-methyldec-8-enyl]-2-ethylhept-5-enamide is sourced from PubChem (CID 163319724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).