20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione

C25H19NO5 — CID 1280562

IUPAC20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione
SMILESO=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1C[C@@H]1CCCO1
InChIInChI=1S/C25H19NO5/c27-24-18-12-22-23(13-19(18)25(28)26(24)14-15-6-5-11-29-15)31-21-10-4-2-8-17(21)16-7-1-3-9-20(16)30-22/h1-4,7-10,12-13,15H,5-6,11,14H2/t15-/m0/s1
InChIKeyIKAARFUSQNQQCZ-HNNXBMFYSA-N
MW413.43 g/mol
LogP5.23
Rot. Bonds2

About 20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione

20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione (PubChem CID 1280562) has the molecular formula C25H19NO5 and a molecular weight of 413.43 g/mol. Its IUPAC name is 20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione.

Molecular Properties

Compound Name20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione
PubChem CID1280562
Molecular FormulaC25H19NO5
Molecular Weight413.43 g/mol
Exact Mass413.13
IUPAC Name20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione
SMILESO=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1C[C@@H]1CCCO1
InChIInChI=1S/C25H19NO5/c27-24-18-12-22-23(13-19(18)25(28)26(24)14-15-6-5-11-29-15)31-21-10-4-2-8-17(21)16-7-1-3-9-20(16)30-22/h1-4,7-10,12-13,15H,5-6,11,14H2/t15-/m0/s1
InChIKeyIKAARFUSQNQQCZ-HNNXBMFYSA-N
XLogP5.23
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione with MolForge

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Related Compounds

5-amino-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 804347
5-[1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindol-5-yl]oxy-2-[[(2S)-oxolan-2-yl]methyl]isoindole-1,3-dione
CID 1231025
1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylic acid
CID 789609
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
2-(oxolan-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 20930756
N-(2-methylphenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362773
N-(cyclobutylmethyl)-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 38656070
5-(4-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 2924807
2-(oxolan-2-ylmethyl)-5-(2-phenylpyrrolidine-1-carbonyl)isoindole-1,3-dione
CID 55495913
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362324
2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran
CID 65158245
(1S)-1-(3,4-dimethoxyphenyl)-2-[[(2S)-oxolan-2-yl]methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7528717

Frequently Asked Questions

What is the IUPAC name of 20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione?
The IUPAC name of 20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione (CID 1280562) is 20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione.
What is the SMILES notation for 20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione?
The canonical SMILES for 20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione is O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1C[C@@H]1CCCO1.
What is the InChIKey of 20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione?
The InChIKey is IKAARFUSQNQQCZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H19NO5/c27-24-18-12-22-23(13-19(18)25(28)26(24)14-15-6-5-11-29-15)31-21-10-4-2-8-17(21)16-7-1-3-9-20(16)30-22/h1-4,7-10,12-13,15H,5-6,11,14H2/t15-/m0/s1.
What are the key properties of 20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione?
20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione has a molecular weight of 413.43 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 20-[[(2S)-oxolan-2-yl]methyl]-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione is sourced from PubChem (CID 1280562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).