(2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide

C32H33NO5 — CID 134837605

IUPAC(2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide
SMILESCON(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H33NO5/c1-33(36-2)31(34)29(37-23-25-15-7-3-8-16-25)30(38-24-26-17-9-4-10-18-26)32(35,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30,35H,23-24H2,1-2H3/t29-,30-/m1/s1
InChIKeyQERLYIGAACUFLN-LOYHVIPDSA-N
MW511.62 g/mol
LogP5.11
Rot. Bonds12

About (2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide

(2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide (PubChem CID 134837605) has the molecular formula C32H33NO5 and a molecular weight of 511.62 g/mol. Its IUPAC name is (2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide.

Molecular Properties

Compound Name(2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide
PubChem CID134837605
Molecular FormulaC32H33NO5
Molecular Weight511.62 g/mol
Exact Mass511.24
IUPAC Name(2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide
SMILESCON(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H33NO5/c1-33(36-2)31(34)29(37-23-25-15-7-3-8-16-25)30(38-24-26-17-9-4-10-18-26)32(35,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30,35H,23-24H2,1-2H3/t29-,30-/m1/s1
InChIKeyQERLYIGAACUFLN-LOYHVIPDSA-N
XLogP5.11
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 70693661
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CID 1211678
5-hydroxy-N,N-dimethyl-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 313292
(2S,3R,4R,6S)-3-hydroxy-N,2-dimethoxy-N,4,6-trimethyl-7-trityloxyheptanamide
CID 15139780
(2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide
CID 101488887
2,3,4,6-Tetra-O-benzyl-N,N-dimethyl-d-gluconamide
CID 129829678
2-[Hydroxy(diphenyl)methyl]-4-methyl-2-phenyl-3-morpholinone
CID 4386321
N-(3-hexadecoxy-2-hydroxypropyl)-N-(2-trityloxyethyl)hexadecanamide
CID 14401295
N-(3-hexadecoxy-2-phenylmethoxypropyl)-N-(2-trityloxyethyl)hexadecanamide
CID 19982436
Benzyl 2-hydroxy-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-3,3-diphenylpropanoate
CID 56977976
(2R,3S,4S)-5-hydroxy-N-methoxy-N-methyl-2,3,4,6-tetrakis(phenylmethoxy)-5-(phenylmethoxymethyl)hexanamide
CID 59226810
N-(benzyloxy)-N-((2R,3R,4S)-2,3,4-tris(benzyloxy)-5-oxopentyl)formamide
CID 118433508

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide?
The IUPAC name of (2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide (CID 134837605) is (2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide.
What is the SMILES notation for (2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide?
The canonical SMILES for (2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide is CON(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide?
The InChIKey is QERLYIGAACUFLN-LOYHVIPDSA-N. The full InChI is InChI=1S/C32H33NO5/c1-33(36-2)31(34)29(37-23-25-15-7-3-8-16-25)30(38-24-26-17-9-4-10-18-26)32(35,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30,35H,23-24H2,1-2H3/t29-,30-/m1/s1.
What are the key properties of (2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide?
(2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide has a molecular weight of 511.62 g/mol, XLogP of 5.11, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-hydroxy-N-methoxy-N-methyl-4,4-diphenyl-2,3-bis(phenylmethoxy)butanamide is sourced from PubChem (CID 134837605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).