N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide

C26H26N4O7 — CID 102386009

IUPACN-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide
SMILESO=C1COc2cccc(c2NC(=O)c2ccccc2)OCC(=O)NCCn2cccc(c2=O)OCCN1
InChIInChI=1S/C26H26N4O7/c31-22-16-36-19-8-4-9-20(24(19)29-25(33)18-6-2-1-3-7-18)37-17-23(32)28-12-15-35-21-10-5-13-30(26(21)34)14-11-27-22/h1-10,13H,11-12,14-17H2,(H,27,31)(H,28,32)(H,29,33)
InChIKeyGDHLGTAZBBQUJC-UHFFFAOYSA-N
MW506.52 g/mol
LogP1.18
Rot. Bonds2

About N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide

N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide (PubChem CID 102386009) has the molecular formula C26H26N4O7 and a molecular weight of 506.52 g/mol. Its IUPAC name is N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide.

Molecular Properties

Compound NameN-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide
PubChem CID102386009
Molecular FormulaC26H26N4O7
Molecular Weight506.52 g/mol
Exact Mass506.18
IUPAC NameN-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide
SMILESO=C1COc2cccc(c2NC(=O)c2ccccc2)OCC(=O)NCCn2cccc(c2=O)OCCN1
InChIInChI=1S/C26H26N4O7/c31-22-16-36-19-8-4-9-20(24(19)29-25(33)18-6-2-1-3-7-18)37-17-23(32)28-12-15-35-21-10-5-13-30(26(21)34)14-11-27-22/h1-10,13H,11-12,14-17H2,(H,27,31)(H,28,32)(H,29,33)
InChIKeyGDHLGTAZBBQUJC-UHFFFAOYSA-N
XLogP1.18
TPSA136.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.52
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide with MolForge

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Related Compounds

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CID 110778003
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CID 145472125

Frequently Asked Questions

What is the IUPAC name of N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide?
The IUPAC name of N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide (CID 102386009) is N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide.
What is the SMILES notation for N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide?
The canonical SMILES for N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide is O=C1COc2cccc(c2NC(=O)c2ccccc2)OCC(=O)NCCn2cccc(c2=O)OCCN1.
What is the InChIKey of N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide?
The InChIKey is GDHLGTAZBBQUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O7/c31-22-16-36-19-8-4-9-20(24(19)29-25(33)18-6-2-1-3-7-18)37-17-23(32)28-12-15-35-21-10-5-13-30(26(21)34)14-11-27-22/h1-10,13H,11-12,14-17H2,(H,27,31)(H,28,32)(H,29,33).
What are the key properties of N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide?
N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide has a molecular weight of 506.52 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,15,24-trioxo-7,13,19-trioxa-1,4,16-triazatricyclo[18.3.1.18,12]pentacosa-8(25),9,11,20,22-pentaen-25-yl)benzamide is sourced from PubChem (CID 102386009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).