10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione

C24H33NO3 — CID 71764386

IUPAC10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione
SMILESO=C1CCCCCNC(=O)c2ccccc2C#CCCCCCCCCCO1
InChIInChI=1S/C24H33NO3/c26-23-18-10-8-13-19-25-24(27)22-17-12-11-16-21(22)15-9-6-4-2-1-3-5-7-14-20-28-23/h11-12,16-17H,1-8,10,13-14,18-20H2,(H,25,27)
InChIKeySINKOQMWHVJPSV-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.01
Rot. Bonds

About 10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione

10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione (PubChem CID 71764386) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione.

Molecular Properties

Compound Name10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione
PubChem CID71764386
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione
SMILESO=C1CCCCCNC(=O)c2ccccc2C#CCCCCCCCCCO1
InChIInChI=1S/C24H33NO3/c26-23-18-10-8-13-19-25-24(27)22-17-12-11-16-21(22)15-9-6-4-2-1-3-5-7-14-20-28-23/h11-12,16-17H,1-8,10,13-14,18-20H2,(H,25,27)
InChIKeySINKOQMWHVJPSV-UHFFFAOYSA-N
XLogP5.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione 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

aziridine;oxepan-2-one
CID 170852282
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
oxepan-2-one;phenylselanylbenzene
CID 175535328
2-oxabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one
CID 72551303
2-thia-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-3,10-dione
CID 24977543
oxepan-2-one;styrene
CID 129313990
(4E)-2,7-dioxa-15,19-diazatricyclo[19.4.0.08,13]pentacosa-1(25),4,8,10,12,21,23-heptaene-14,20-dione
CID 177446883
1,8,17-trioxacyclopentacosane-2,7-dione
CID 150130718
3,11-dioxabicyclo[11.4.0]heptadeca-1(17),13,15-triene-2,12-dione
CID 102529625

Frequently Asked Questions

What is the IUPAC name of 10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione?
The IUPAC name of 10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione (CID 71764386) is 10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione.
What is the SMILES notation for 10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione?
The canonical SMILES for 10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione is O=C1CCCCCNC(=O)c2ccccc2C#CCCCCCCCCCO1.
What is the InChIKey of 10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione?
The InChIKey is SINKOQMWHVJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c26-23-18-10-8-13-19-25-24(27)22-17-12-11-16-21(22)15-9-6-4-2-1-3-5-7-14-20-28-23/h11-12,16-17H,1-8,10,13-14,18-20H2,(H,25,27).
What are the key properties of 10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione?
10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione has a molecular weight of 383.53 g/mol, XLogP of 5.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxa-3-azabicyclo[20.4.0]hexacosa-1(26),22,24-trien-20-yne-2,9-dione is sourced from PubChem (CID 71764386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).