2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one

C21H31NO4 — CID 20530949

IUPAC2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one
SMILESCCCCCC(CCN1C(=O)CC2OC(O)CC21)OCc1ccccc1
InChIInChI=1S/C21H31NO4/c1-2-3-5-10-17(25-15-16-8-6-4-7-9-16)11-12-22-18-13-21(24)26-19(18)14-20(22)23/h4,6-9,17-19,21,24H,2-3,5,10-15H2,1H3
InChIKeyRQDURFXBKLDAJS-UHFFFAOYSA-N
MW361.48 g/mol
LogP3.25
Rot. Bonds10

About 2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one

2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one (PubChem CID 20530949) has the molecular formula C21H31NO4 and a molecular weight of 361.48 g/mol. Its IUPAC name is 2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one
PubChem CID20530949
Molecular FormulaC21H31NO4
Molecular Weight361.48 g/mol
Exact Mass361.23
IUPAC Name2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one
SMILESCCCCCC(CCN1C(=O)CC2OC(O)CC21)OCc1ccccc1
InChIInChI=1S/C21H31NO4/c1-2-3-5-10-17(25-15-16-8-6-4-7-9-16)11-12-22-18-13-21(24)26-19(18)14-20(22)23/h4,6-9,17-19,21,24H,2-3,5,10-15H2,1H3
InChIKeyRQDURFXBKLDAJS-UHFFFAOYSA-N
XLogP3.25
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-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

Benzyl 4-(hydroxymethyl)-2,2-dimethyltetrahydro-5H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 391522
(1R,6S,7S,8S)-1-hydroxy-6-(2-hydroxypropan-2-yl)-7-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134924675
(4R,5S)-3-[(E,2R,3R)-3-hydroxy-2,4-dimethylhex-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11359016
(4R,5S)-3-[(2S,3S)-3-hydroxy-2-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11011287
(4R,5S)-3-((2R,3S,4S)-3-Hydroxy-2,4-dimethylhept-6-enoyl)-4-methyl-5-phenyloxazolidin-2-one
CID 11438952
methyl (2S)-1-[(2S,3S,5S)-5-hydroxy-5-methyl-2-phenyloxolane-3-carbonyl]pyrrolidine-2-carboxylate
CID 11974371
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921
benzyl (3aS,4R,6aR)-4-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 13917313
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 14035577
(4S)-4-benzyl-3-[(2S,3R)-3-hydroxy-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one
CID 102037540
1-[(3aR,4S,6aR)-4-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-3-yl]ethanone
CID 134940618
benzyl (3aS,4R,6aR)-4-[(1S)-1-hydroxyethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 177698842

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one?
The IUPAC name of 2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one (CID 20530949) is 2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one?
The canonical SMILES for 2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one is CCCCCC(CCN1C(=O)CC2OC(O)CC21)OCc1ccccc1.
What is the InChIKey of 2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one?
The InChIKey is RQDURFXBKLDAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO4/c1-2-3-5-10-17(25-15-16-8-6-4-7-9-16)11-12-22-18-13-21(24)26-19(18)14-20(22)23/h4,6-9,17-19,21,24H,2-3,5,10-15H2,1H3.
What are the key properties of 2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one?
2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one has a molecular weight of 361.48 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 20530949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).