(2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide

C22H28N2O6 — CID 102342659

IUPAC(2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide
SMILESCON(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)N(C)OC
InChIInChI=1S/C22H28N2O6/c1-23(27-3)21(25)19(29-15-17-11-7-5-8-12-17)20(22(26)24(2)28-4)30-16-18-13-9-6-10-14-18/h5-14,19-20H,15-16H2,1-4H3/t19-,20-/m1/s1
InChIKeyDSSFZPUMTBPFEW-WOJBJXKFSA-N
MW416.47 g/mol
LogP2.20
Rot. Bonds11

About (2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide

(2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide (PubChem CID 102342659) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is (2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide.

Molecular Properties

Compound Name(2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide
PubChem CID102342659
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name(2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide
SMILESCON(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)N(C)OC
InChIInChI=1S/C22H28N2O6/c1-23(27-3)21(25)19(29-15-17-11-7-5-8-12-17)20(22(26)24(2)28-4)30-16-18-13-9-6-10-14-18/h5-14,19-20H,15-16H2,1-4H3/t19-,20-/m1/s1
InChIKeyDSSFZPUMTBPFEW-WOJBJXKFSA-N
XLogP2.20
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione
CID 134872210
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CID 95356922
(2R,3R,5Z,8R)-2-ethyl-N,N-dimethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocine-8-carboxamide
CID 11162911
(3R,4R)-1-but-3-enyl-3,4-bis(phenylmethoxy)pyrrolidine-2,5-dione
CID 14503836
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide
CID 44478258
(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
[(2R,3R)-3-benzoyloxy-1,4-bis(dimethylamino)-1,4-dioxobutan-2-yl] benzoate
CID 101702358
(2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide
CID 102342660
(2R,3R)-N-methoxy-N-methyl-4-oxo-4-phenyl-2,3-bis(phenylmethoxy)butanamide
CID 134837606
(4R,5R)-2-ethoxy-4-N,4-N,5-N,5-N-tetramethyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide
CID 134920209
(4R,5R)-2-methoxy-4-N,4-N,5-N,5-N-tetramethyl-2-phenyl-1,3-dioxolane-4,5-dicarboxamide
CID 134920624

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide?
The IUPAC name of (2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide (CID 102342659) is (2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide.
What is the SMILES notation for (2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide?
The canonical SMILES for (2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide is CON(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(=O)N(C)OC.
What is the InChIKey of (2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide?
The InChIKey is DSSFZPUMTBPFEW-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-23(27-3)21(25)19(29-15-17-11-7-5-8-12-17)20(22(26)24(2)28-4)30-16-18-13-9-6-10-14-18/h5-14,19-20H,15-16H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of (2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide?
(2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide has a molecular weight of 416.47 g/mol, XLogP of 2.20, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide is sourced from PubChem (CID 102342659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).