4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide

C24H24N4O4 — CID 130264306

IUPAC4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide
SMILESCCOc1ccc2c(c1)c1c(n2Cc2ccc(C(N)=O)cc2)CN2CC1C(=O)N(C)C2=O
InChIInChI=1S/C24H24N4O4/c1-3-32-16-8-9-19-17(10-16)21-18-12-27(24(31)26(2)23(18)30)13-20(21)28(19)11-14-4-6-15(7-5-14)22(25)29/h4-10,18H,3,11-13H2,1-2H3,(H2,25,29)
InChIKeyPMYQSDPSMPMCDT-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.68
Rot. Bonds5

About 4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide

4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide (PubChem CID 130264306) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide
PubChem CID130264306
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide
SMILESCCOc1ccc2c(c1)c1c(n2Cc2ccc(C(N)=O)cc2)CN2CC1C(=O)N(C)C2=O
InChIInChI=1S/C24H24N4O4/c1-3-32-16-8-9-19-17(10-16)21-18-12-27(24(31)26(2)23(18)30)13-20(21)28(19)11-14-4-6-15(7-5-14)22(25)29/h4-10,18H,3,11-13H2,1-2H3,(H2,25,29)
InChIKeyPMYQSDPSMPMCDT-UHFFFAOYSA-N
XLogP2.68
TPSA97.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide?
The IUPAC name of 4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide (CID 130264306) is 4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide.
What is the SMILES notation for 4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide?
The canonical SMILES for 4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide is CCOc1ccc2c(c1)c1c(n2Cc2ccc(C(N)=O)cc2)CN2CC1C(=O)N(C)C2=O.
What is the InChIKey of 4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide?
The InChIKey is PMYQSDPSMPMCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-3-32-16-8-9-19-17(10-16)21-18-12-27(24(31)26(2)23(18)30)13-20(21)28(19)11-14-4-6-15(7-5-14)22(25)29/h4-10,18H,3,11-13H2,1-2H3,(H2,25,29).
What are the key properties of 4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide?
4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide has a molecular weight of 432.48 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethoxy-14-methyl-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide is sourced from PubChem (CID 130264306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).