5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide

C24H32N4O3 — CID 54584038

IUPAC5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide
SMILESCc1c2c(n3c1CCNCCOCCNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O
InChIInChI=1S/C24H32N4O3/c1-15-19-6-7-26-8-10-31-11-9-27-18-12-16(4-5-17(18)23(25)30)28(19)20-13-24(2,3)14-21(29)22(15)20/h4-5,12,26-27H,6-11,13-14H2,1-3H3,(H2,25,30)
InChIKeyLHSUFRLOYYYVOY-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.61
Rot. Bonds1

About 5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide

5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide (PubChem CID 54584038) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide.

Molecular Properties

Compound Name5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide
PubChem CID54584038
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide
SMILESCc1c2c(n3c1CCNCCOCCNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O
InChIInChI=1S/C24H32N4O3/c1-15-19-6-7-26-8-10-31-11-9-27-18-12-16(4-5-17(18)23(25)30)28(19)20-13-24(2,3)14-21(29)22(15)20/h4-5,12,26-27H,6-11,13-14H2,1-3H3,(H2,25,30)
InChIKeyLHSUFRLOYYYVOY-UHFFFAOYSA-N
XLogP2.61
TPSA98.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide?
The IUPAC name of 5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide (CID 54584038) is 5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide.
What is the SMILES notation for 5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide?
The canonical SMILES for 5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide is Cc1c2c(n3c1CCNCCOCCNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O.
What is the InChIKey of 5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide?
The InChIKey is LHSUFRLOYYYVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-15-19-6-7-26-8-10-31-11-9-27-18-12-16(4-5-17(18)23(25)30)28(19)20-13-24(2,3)14-21(29)22(15)20/h4-5,12,26-27H,6-11,13-14H2,1-3H3,(H2,25,30).
What are the key properties of 5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide?
5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.61, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,9-trimethyl-7-oxo-16-oxa-2,13,19-triazatetracyclo[18.3.1.02,10.03,8]tetracosa-1(24),3(8),9,20,22-pentaene-21-carboxamide is sourced from PubChem (CID 54584038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).