(2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide

C36H39NO6 — CID 67872610

IUPAC(2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
SMILESCN(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)COCc1ccccc1
InChIInChI=1S/C36H39NO6/c1-37(2)36(39)35(43-26-31-21-13-6-14-22-31)34(42-25-30-19-11-5-12-20-30)33(41-24-29-17-9-4-10-18-29)32(38)27-40-23-28-15-7-3-8-16-28/h3-22,33-35H,23-27H2,1-2H3/t33-,34+,35-/m1/s1
InChIKeyNVKAMTVQBHEETL-GVBYMILNSA-N
MW581.71 g/mol
LogP5.62
Rot. Bonds17

About (2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide

(2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide (PubChem CID 67872610) has the molecular formula C36H39NO6 and a molecular weight of 581.71 g/mol. Its IUPAC name is (2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide.

Molecular Properties

Compound Name(2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
PubChem CID67872610
Molecular FormulaC36H39NO6
Molecular Weight581.71 g/mol
Exact Mass581.28
IUPAC Name(2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
SMILESCN(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)COCc1ccccc1
InChIInChI=1S/C36H39NO6/c1-37(2)36(39)35(43-26-31-21-13-6-14-22-31)34(42-25-30-19-11-5-12-20-30)33(41-24-29-17-9-4-10-18-29)32(38)27-40-23-28-15-7-3-8-16-28/h3-22,33-35H,23-27H2,1-2H3/t33-,34+,35-/m1/s1
InChIKeyNVKAMTVQBHEETL-GVBYMILNSA-N
XLogP5.62
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.71
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The IUPAC name of (2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide (CID 67872610) is (2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide.
What is the SMILES notation for (2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The canonical SMILES for (2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide is CN(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)COCc1ccccc1.
What is the InChIKey of (2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
The InChIKey is NVKAMTVQBHEETL-GVBYMILNSA-N. The full InChI is InChI=1S/C36H39NO6/c1-37(2)36(39)35(43-26-31-21-13-6-14-22-31)34(42-25-30-19-11-5-12-20-30)33(41-24-29-17-9-4-10-18-29)32(38)27-40-23-28-15-7-3-8-16-28/h3-22,33-35H,23-27H2,1-2H3/t33-,34+,35-/m1/s1.
What are the key properties of (2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide?
(2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide has a molecular weight of 581.71 g/mol, XLogP of 5.62, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-N,N-dimethyl-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanamide is sourced from PubChem (CID 67872610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).