(4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one

C22H27NO5 — CID 143326454

IUPAC(4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one
SMILESCOCCNC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)C1=O
InChIInChI=1S/C22H27NO5/c1-25-13-12-23-22-20(24)21(27-15-18-10-6-3-7-11-18)19(28-22)16-26-14-17-8-4-2-5-9-17/h2-11,19,21-23H,12-16H2,1H3/t19-,21-,22?/m1/s1
InChIKeyABGMDGVBNXYLDD-ZJBPFHOOSA-N
MW385.46 g/mol
LogP2.32
Rot. Bonds11

About (4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one

(4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one (PubChem CID 143326454) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is (4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one.

Molecular Properties

Compound Name(4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one
PubChem CID143326454
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name(4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one
SMILESCOCCNC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)C1=O
InChIInChI=1S/C22H27NO5/c1-25-13-12-23-22-20(24)21(27-15-18-10-6-3-7-11-18)19(28-22)16-26-14-17-8-4-2-5-9-17/h2-11,19,21-23H,12-16H2,1H3/t19-,21-,22?/m1/s1
InChIKeyABGMDGVBNXYLDD-ZJBPFHOOSA-N
XLogP2.32
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 154734225
(2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one
CID 10928642
(4S,5R)-2-(methoxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-3-one
CID 118336622
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
methyl (2S,3R)-3-(phenylmethoxymethyl)oxirane-2-carboxylate
CID 101113540
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
(2R,4S,5R,6R)-2-(3-hydroxypentan-3-yl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-one
CID 11092534
(2R,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane-2-carbaldehyde
CID 134841401
(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one
CID 11302737
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[(Z)-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]methyl]oxan-4-one
CID 102502311

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one?
The IUPAC name of (4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one (CID 143326454) is (4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one.
What is the SMILES notation for (4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one?
The canonical SMILES for (4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one is COCCNC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)C1=O.
What is the InChIKey of (4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one?
The InChIKey is ABGMDGVBNXYLDD-ZJBPFHOOSA-N. The full InChI is InChI=1S/C22H27NO5/c1-25-13-12-23-22-20(24)21(27-15-18-10-6-3-7-11-18)19(28-22)16-26-14-17-8-4-2-5-9-17/h2-11,19,21-23H,12-16H2,1H3/t19-,21-,22?/m1/s1.
What are the key properties of (4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one?
(4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one has a molecular weight of 385.46 g/mol, XLogP of 2.32, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-(2-methoxyethylamino)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-one is sourced from PubChem (CID 143326454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).