13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone

C14H21N7O5 — CID 137084522

IUPAC13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone
SMILESCCCN1CC(=O)NCC(=O)NC(=O)NC(=O)Nc2nnc(o2)C1CC
InChIInChI=1S/C14H21N7O5/c1-3-5-21-7-10(23)15-6-9(22)16-12(24)17-13(25)18-14-20-19-11(26-14)8(21)4-2/h8H,3-7H2,1-2H3,(H,15,23)(H3,16,17,18,20,22,24,25)
InChIKeyAAUSGTHXMWHJBU-UHFFFAOYSA-N
MW367.37 g/mol
LogP-0.28
Rot. Bonds3

About 13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone

13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone (PubChem CID 137084522) has the molecular formula C14H21N7O5 and a molecular weight of 367.37 g/mol. Its IUPAC name is 13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone.

Molecular Properties

Compound Name13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone
PubChem CID137084522
Molecular FormulaC14H21N7O5
Molecular Weight367.37 g/mol
Exact Mass367.16
IUPAC Name13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone
SMILESCCCN1CC(=O)NCC(=O)NC(=O)NC(=O)Nc2nnc(o2)C1CC
InChIInChI=1S/C14H21N7O5/c1-3-5-21-7-10(23)15-6-9(22)16-12(24)17-13(25)18-14-20-19-11(26-14)8(21)4-2/h8H,3-7H2,1-2H3,(H,15,23)(H3,16,17,18,20,22,24,25)
InChIKeyAAUSGTHXMWHJBU-UHFFFAOYSA-N
XLogP-0.28
TPSA158.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone 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 13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone?
The IUPAC name of 13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone (CID 137084522) is 13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone.
What is the SMILES notation for 13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone?
The canonical SMILES for 13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone is CCCN1CC(=O)NCC(=O)NC(=O)NC(=O)Nc2nnc(o2)C1CC.
What is the InChIKey of 13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone?
The InChIKey is AAUSGTHXMWHJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O5/c1-3-5-21-7-10(23)15-6-9(22)16-12(24)17-13(25)18-14-20-19-11(26-14)8(21)4-2/h8H,3-7H2,1-2H3,(H,15,23)(H3,16,17,18,20,22,24,25).
What are the key properties of 13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone?
13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone has a molecular weight of 367.37 g/mol, XLogP of -0.28, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 13-ethyl-12-propyl-17-oxa-2,4,6,9,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,7,10-tetrone is sourced from PubChem (CID 137084522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).