N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide

C37H48FNO2 — CID 10745396

IUPACN-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide
SMILESCCCCCCCC(F)/C=C/[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CCCCC
InChIInChI=1S/C37H48FNO2/c1-3-5-7-8-19-26-34(38)28-29-35(39-36(40)27-12-6-4-2)30-41-37(31-20-13-9-14-21-31,32-22-15-10-16-23-32)33-24-17-11-18-25-33/h9-11,13-18,20-25,28-29,34-35H,3-8,12,19,26-27,30H2,1-2H3,(H,39,40)/b29-28+/t34?,35-/m1/s1
InChIKeyZAMHAQSURGLLRV-CSPHJVJMSA-N
MW557.79 g/mol
LogP9.31
Rot. Bonds19

About N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide

N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide (PubChem CID 10745396) has the molecular formula C37H48FNO2 and a molecular weight of 557.79 g/mol. Its IUPAC name is N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide.

Molecular Properties

Compound NameN-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide
PubChem CID10745396
Molecular FormulaC37H48FNO2
Molecular Weight557.79 g/mol
Exact Mass557.37
IUPAC NameN-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide
SMILESCCCCCCCC(F)/C=C/[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CCCCC
InChIInChI=1S/C37H48FNO2/c1-3-5-7-8-19-26-34(38)28-29-35(39-36(40)27-12-6-4-2)30-41-37(31-20-13-9-14-21-31,32-22-15-10-16-23-32)33-24-17-11-18-25-33/h9-11,13-18,20-25,28-29,34-35H,3-8,12,19,26-27,30H2,1-2H3,(H,39,40)/b29-28+/t34?,35-/m1/s1
InChIKeyZAMHAQSURGLLRV-CSPHJVJMSA-N
XLogP9.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.79
LogP ≤ 59.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
Benzyl 2-[(2,2-diphenylacetyl)amino]acetate
CID 1100660
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide
CID 9980795
N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-phenyl-acetamide
CID 10788455
Benzhydryl 2-[(2-phenylacetyl)amino]acetate
CID 1310474
N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-3-phenylpropanamide
CID 10765459
[(1S)-2-[[(2S)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] (2S)-2-[(4-fluorophenyl)methyl]hex-5-enoate
CID 44201504
2-[(2S,6R,8Z,11R)-11-[(4-fluorophenyl)methyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 44201748
Bpoc-Lys(Boc)-Ala-OBn
CID 44522629
N-[1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-formamide
CID 21753663

Frequently Asked Questions

What is the IUPAC name of N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide?
The IUPAC name of N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide (CID 10745396) is N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide.
What is the SMILES notation for N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide?
The canonical SMILES for N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide is CCCCCCCC(F)/C=C/[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CCCCC.
What is the InChIKey of N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide?
The InChIKey is ZAMHAQSURGLLRV-CSPHJVJMSA-N. The full InChI is InChI=1S/C37H48FNO2/c1-3-5-7-8-19-26-34(38)28-29-35(39-36(40)27-12-6-4-2)30-41-37(31-20-13-9-14-21-31,32-22-15-10-16-23-32)33-24-17-11-18-25-33/h9-11,13-18,20-25,28-29,34-35H,3-8,12,19,26-27,30H2,1-2H3,(H,39,40)/b29-28+/t34?,35-/m1/s1.
What are the key properties of N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide?
N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide has a molecular weight of 557.79 g/mol, XLogP of 9.31, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2R)-5-fluoro-1-trityloxydodec-3-en-2-yl]hexanamide is sourced from PubChem (CID 10745396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).