N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide

C34H35NO6 — CID 118433508

IUPACN-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide
SMILESO=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](CN(C=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H35NO6/c36-22-33(39-24-29-15-7-2-8-16-29)34(40-25-30-17-9-3-10-18-30)32(38-23-28-13-5-1-6-14-28)21-35(27-37)41-26-31-19-11-4-12-20-31/h1-20,22,27,32-34H,21,23-26H2/t32-,33-,34-/m1/s1
InChIKeyVUHKZWZRZOTFDL-CKOYEXALSA-N
MW553.66 g/mol
LogP5.53
Rot. Bonds18

About N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide

N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide (PubChem CID 118433508) has the molecular formula C34H35NO6 and a molecular weight of 553.66 g/mol. Its IUPAC name is N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide
PubChem CID118433508
Molecular FormulaC34H35NO6
Molecular Weight553.66 g/mol
Exact Mass553.25
IUPAC NameN-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide
SMILESO=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](CN(C=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H35NO6/c36-22-33(39-24-29-15-7-2-8-16-29)34(40-25-30-17-9-3-10-18-30)32(38-23-28-13-5-1-6-14-28)21-35(27-37)41-26-31-19-11-4-12-20-31/h1-20,22,27,32-34H,21,23-26H2/t32-,33-,34-/m1/s1
InChIKeyVUHKZWZRZOTFDL-CKOYEXALSA-N
XLogP5.53
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.66
LogP ≤ 55.53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide?
The IUPAC name of N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide (CID 118433508) is N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide.
What is the SMILES notation for N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide?
The canonical SMILES for N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide is O=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](CN(C=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide?
The InChIKey is VUHKZWZRZOTFDL-CKOYEXALSA-N. The full InChI is InChI=1S/C34H35NO6/c36-22-33(39-24-29-15-7-2-8-16-29)34(40-25-30-17-9-3-10-18-30)32(38-23-28-13-5-1-6-14-28)21-35(27-37)41-26-31-19-11-4-12-20-31/h1-20,22,27,32-34H,21,23-26H2/t32-,33-,34-/m1/s1.
What are the key properties of N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide?
N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide has a molecular weight of 553.66 g/mol, XLogP of 5.53, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide is sourced from PubChem (CID 118433508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).