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

C21H25NO5 — CID 102342660

IUPAC(2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide
SMILESCON(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(C)=O
InChIInChI=1S/C21H25NO5/c1-16(23)19(26-14-17-10-6-4-7-11-17)20(21(24)22(2)25-3)27-15-18-12-8-5-9-13-18/h4-13,19-20H,14-15H2,1-3H3/t19-,20+/m0/s1
InChIKeySJYGNRFTGJETBM-VQTJNVASSA-N
MW371.43 g/mol
LogP2.77
Rot. Bonds10

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

(2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide (PubChem CID 102342660) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is (2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide.

Molecular Properties

Compound Name(2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide
PubChem CID102342660
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name(2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide
SMILESCON(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(C)=O
InChIInChI=1S/C21H25NO5/c1-16(23)19(26-14-17-10-6-4-7-11-17)20(21(24)22(2)25-3)27-15-18-12-8-5-9-13-18/h4-13,19-20H,14-15H2,1-3H3/t19-,20+/m0/s1
InChIKeySJYGNRFTGJETBM-VQTJNVASSA-N
XLogP2.77
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.77
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

(3R,4R)-3,4-bis(phenylmethoxy)-1-[(Z)-4-trimethylsilylbut-3-enyl]pyrrolidine-2,5-dione
CID 134872210
(s)-2-(benzyloxy)-N-methoxy-N-methylpropanamide
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
N-[(1S,5S,6R)-4-oxo-5,6-bis(phenylmethoxy)cyclohex-2-en-1-yl]acetamide
CID 23628591
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-5-phenyl-2-phenylmethoxypentanamide
CID 44478258
(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,N'-dimethoxy-N,N'-dimethyl-2,3-bis(phenylmethoxy)butanediamide
CID 102342659
(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-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide?
The IUPAC name of (2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide (CID 102342660) is (2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide.
What is the SMILES notation for (2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide?
The canonical SMILES for (2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide is CON(C)C(=O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)C(C)=O.
What is the InChIKey of (2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide?
The InChIKey is SJYGNRFTGJETBM-VQTJNVASSA-N. The full InChI is InChI=1S/C21H25NO5/c1-16(23)19(26-14-17-10-6-4-7-11-17)20(21(24)22(2)25-3)27-15-18-12-8-5-9-13-18/h4-13,19-20H,14-15H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of (2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide?
(2R,3R)-N-methoxy-N-methyl-4-oxo-2,3-bis(phenylmethoxy)pentanamide has a molecular weight of 371.43 g/mol, XLogP of 2.77, 10 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-2,3-bis(phenylmethoxy)pentanamide is sourced from PubChem (CID 102342660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).