(2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide

C26H27NO5 — CID 134837606

IUPAC(2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide
SMILESCON(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C26H27NO5/c1-27(30-2)26(29)25(32-19-21-14-8-4-9-15-21)24(23(28)22-16-10-5-11-17-22)31-18-20-12-6-3-7-13-20/h3-17,24-25H,18-19H2,1-2H3/t24-,25+/m0/s1
InChIKeyWPSXRBNRRKOLEF-LOSJGSFVSA-N
MW433.50 g/mol
LogP4.06
Rot. Bonds11

About (2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide

(2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide (PubChem CID 134837606) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is (2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide.

Molecular Properties

Compound Name(2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide
PubChem CID134837606
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name(2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide
SMILESCON(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C26H27NO5/c1-27(30-2)26(29)25(32-19-21-14-8-4-9-15-21)24(23(28)22-16-10-5-11-17-22)31-18-20-12-6-3-7-13-20/h3-17,24-25H,18-19H2,1-2H3/t24-,25+/m0/s1
InChIKeyWPSXRBNRRKOLEF-LOSJGSFVSA-N
XLogP4.06
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2,3-Bis(benzoyloxy)-4-(dimethylamino)-4-oxobutanoic acid
CID 22831366
(2R,3S)-N-methyl-N-phenacyl-3-phenyloxirane-2-carboxamide
CID 10979333
(2R,3R)-2,3-Bis(benzoyloxy)-4-(dimethylamino)-4-oxobutanoic acid
CID 13932120
(2R,3R)-1-Amino-4-(dimethylamino)-1,4-dioxobutane-2,3-diyl dibenzoate
CID 71348633
(2S,3R)-3-hydroxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide
CID 101488887
(R,R)-(-)-O,O'-Dibenzoyltartaric acid mono(N,N-dimethylamide) monomethylester
CID 101702350
(R,R)-(-)-O,O'-Dibenzoyltartaric acid N,N'-dimethyldiamide
CID 101702355
(R,R)-(-)-O,O'-Dibenzoyltartaric acid N,N,N'-trimethyldiamide
CID 101702357
[(2R,3R)-3-benzoyloxy-1,4-bis(dimethylamino)-1,4-dioxobutan-2-yl] benzoate
CID 101702358
N,N-Dimethyl(2R,3S)-2,3-dibenzoyloxy-3-cyanopropanamide
CID 101702361
(2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide
CID 102342659
(2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide
CID 102342660

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide?
The IUPAC name of (2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide (CID 134837606) is (2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide.
What is the SMILES notation for (2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide?
The canonical SMILES for (2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide is CON(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide?
The InChIKey is WPSXRBNRRKOLEF-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H27NO5/c1-27(30-2)26(29)25(32-19-21-14-8-4-9-15-21)24(23(28)22-16-10-5-11-17-22)31-18-20-12-6-3-7-13-20/h3-17,24-25H,18-19H2,1-2H3/t24-,25+/m0/s1.
What are the key properties of (2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide?
(2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide has a molecular weight of 433.50 g/mol, XLogP of 4.06, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide is sourced from PubChem (CID 134837606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).