N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide

C39H46NO6P — CID 118442063

IUPACN-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide
SMILESCCC([C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](/C=C/P(C)(C)=O)OCc1ccccc1)N(C=O)OCc1ccccc1
InChIInChI=1S/C39H46NO6P/c1-4-36(40(31-41)46-30-35-23-15-8-16-24-35)38(44-28-33-19-11-6-12-20-33)39(45-29-34-21-13-7-14-22-34)37(25-26-47(2,3)42)43-27-32-17-9-5-10-18-32/h5-26,31,36-39H,4,27-30H2,1-3H3/b26-25+/t36?,37-,38+,39-/m1/s1
InChIKeyDAYNIMZUEAAEST-CUTTXUGTSA-N
MW655.77 g/mol
LogP8.25
Rot. Bonds20

About N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide

N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide (PubChem CID 118442063) has the molecular formula C39H46NO6P and a molecular weight of 655.77 g/mol. Its IUPAC name is N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide
PubChem CID118442063
Molecular FormulaC39H46NO6P
Molecular Weight655.77 g/mol
Exact Mass655.31
IUPAC NameN-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide
SMILESCCC([C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](/C=C/P(C)(C)=O)OCc1ccccc1)N(C=O)OCc1ccccc1
InChIInChI=1S/C39H46NO6P/c1-4-36(40(31-41)46-30-35-23-15-8-16-24-35)38(44-28-33-19-11-6-12-20-33)39(45-29-34-21-13-7-14-22-34)37(25-26-47(2,3)42)43-27-32-17-9-5-10-18-32/h5-26,31,36-39H,4,27-30H2,1-3H3/b26-25+/t36?,37-,38+,39-/m1/s1
InChIKeyDAYNIMZUEAAEST-CUTTXUGTSA-N
XLogP8.25
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.77
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide 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

N-phenylmethoxy-N-[(4S,5R,6R)-4,5,6-tris(phenylmethoxy)octan-3-yl]formamide;(4S,5R,6R)-N,4,5,6-tetrakis(phenylmethoxy)octan-3-amine
CID 161410423
N-[(E,2R,3S,4R)-6-dimethoxyphosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide
CID 118433503
N-[(E,2S,3R,4R)-6-bis(phenylmethoxy)phosphoryl-2,3,4-tris(phenylmethoxy)hex-5-enyl]-N-phenylmethoxyformamide
CID 134524547
3-[formyl(phenylmethoxy)amino]-2-(2-phenylethyl)pentanoic acid
CID 123848169
(2S,3S,4R,5E)-2,3,4-tris(phenylmethoxy)octa-5,7-dienal
CID 101049962
(2S)-2-[formyl(phenylmethoxy)amino]-3-methylbutanoic acid
CID 174326736
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
[[(2R)-2-[(1R)-1-[formyl(phenylmethoxy)amino]propyl]heptanoyl]amino]methylcarbamic acid
CID 122699028
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492
methyl (2R,3S,4R,5E)-2,3,4-tris(phenylmethoxy)octa-5,7-dienoate
CID 23244262
N-[(2R,3S,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide
CID 118433511
methyl (Z,4S,5S,6R)-4,5,6-tris(phenylmethoxy)-7,7-bis(propylsulfanyl)hept-2-enoate
CID 101131344

Frequently Asked Questions

What is the IUPAC name of N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide?
The IUPAC name of N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide (CID 118442063) is N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide.
What is the SMILES notation for N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide?
The canonical SMILES for N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide is CCC([C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](/C=C/P(C)(C)=O)OCc1ccccc1)N(C=O)OCc1ccccc1.
What is the InChIKey of N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide?
The InChIKey is DAYNIMZUEAAEST-CUTTXUGTSA-N. The full InChI is InChI=1S/C39H46NO6P/c1-4-36(40(31-41)46-30-35-23-15-8-16-24-35)38(44-28-33-19-11-6-12-20-33)39(45-29-34-21-13-7-14-22-34)37(25-26-47(2,3)42)43-27-32-17-9-5-10-18-32/h5-26,31,36-39H,4,27-30H2,1-3H3/b26-25+/t36?,37-,38+,39-/m1/s1.
What are the key properties of N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide?
N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide has a molecular weight of 655.77 g/mol, XLogP of 8.25, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,4S,5R,6R)-8-dimethylphosphoryl-4,5,6-tris(phenylmethoxy)oct-7-en-3-yl]-N-phenylmethoxyformamide is sourced from PubChem (CID 118442063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).