(8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione

C24H41N5O3 — CID 139565561

IUPAC(8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione
SMILESN/C1=C\NCCCNC(=O)C(C2CCCCC2)NC(=O)C2CCCN2C(=O)CCCCC1
InChIInChI=1S/C24H41N5O3/c25-19-11-5-2-6-13-21(30)29-16-7-12-20(29)23(31)28-22(18-9-3-1-4-10-18)24(32)27-15-8-14-26-17-19/h17-18,20,22,26H,1-16,25H2,(H,27,32)(H,28,31)/b19-17-
InChIKeyJHPFSCDPYDXTCP-ZPHPHTNESA-N
MW447.62 g/mol
LogP1.90
Rot. Bonds1

About (8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione

(8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione (PubChem CID 139565561) has the molecular formula C24H41N5O3 and a molecular weight of 447.62 g/mol. Its IUPAC name is (8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione.

Molecular Properties

Compound Name(8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione
PubChem CID139565561
Molecular FormulaC24H41N5O3
Molecular Weight447.62 g/mol
Exact Mass447.32
IUPAC Name(8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione
SMILESN/C1=C\NCCCNC(=O)C(C2CCCCC2)NC(=O)C2CCCN2C(=O)CCCCC1
InChIInChI=1S/C24H41N5O3/c25-19-11-5-2-6-13-21(30)29-16-7-12-20(29)23(31)28-22(18-9-3-1-4-10-18)24(32)27-15-8-14-26-17-19/h17-18,20,22,26H,1-16,25H2,(H,27,32)(H,28,31)/b19-17-
InChIKeyJHPFSCDPYDXTCP-ZPHPHTNESA-N
XLogP1.90
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione?
The IUPAC name of (8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione (CID 139565561) is (8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione.
What is the SMILES notation for (8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione?
The canonical SMILES for (8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione is N/C1=C\NCCCNC(=O)C(C2CCCCC2)NC(=O)C2CCCN2C(=O)CCCCC1.
What is the InChIKey of (8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione?
The InChIKey is JHPFSCDPYDXTCP-ZPHPHTNESA-N. The full InChI is InChI=1S/C24H41N5O3/c25-19-11-5-2-6-13-21(30)29-16-7-12-20(29)23(31)28-22(18-9-3-1-4-10-18)24(32)27-15-8-14-26-17-19/h17-18,20,22,26H,1-16,25H2,(H,27,32)(H,28,31)/b19-17-.
What are the key properties of (8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione?
(8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione has a molecular weight of 447.62 g/mol, XLogP of 1.90, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-amino-16-cyclohexyl-1,10,14,17-tetrazabicyclo[17.3.0]docos-8-ene-2,15,18-trione is sourced from PubChem (CID 139565561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).