2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide

C23H22N4O2 — CID 71826502

IUPAC2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O
InChIInChI=1S/C23H22N4O2/c1-14(2)24-20(28)13-27-19-10-6-4-7-15(19)16-11-12-26-22(21(16)27)25-18-9-5-3-8-17(18)23(26)29/h3-10,14H,11-13H2,1-2H3,(H,24,28)
InChIKeyYAEURNQVSKFDBP-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.10
Rot. Bonds3

About 2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide

2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide (PubChem CID 71826502) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide
PubChem CID71826502
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O
InChIInChI=1S/C23H22N4O2/c1-14(2)24-20(28)13-27-19-10-6-4-7-15(19)16-11-12-26-22(21(16)27)25-18-9-5-3-8-17(18)23(26)29/h3-10,14H,11-13H2,1-2H3,(H,24,28)
InChIKeyYAEURNQVSKFDBP-UHFFFAOYSA-N
XLogP3.10
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide (CID 71826502) is 2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O.
What is the InChIKey of 2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide?
The InChIKey is YAEURNQVSKFDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-14(2)24-20(28)13-27-19-10-6-4-7-15(19)16-11-12-26-22(21(16)27)25-18-9-5-3-8-17(18)23(26)29/h3-10,14H,11-13H2,1-2H3,(H,24,28).
What are the key properties of 2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide?
2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide has a molecular weight of 386.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 71826502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).