1,4,10,13-tetrazacyclooctadecane-7,16-dione

Name: 1,4,10,13-tetrazacyclooctadecane-7,16-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₈N₄O₂ — CID 156838374

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1,4,10,13-tetrazacyclooctadecane-7,16-dione

SMILESO=C1CCNCCNCCC(=O)CCNCCNCC1

InChIInChI=1S/C14H28N4O2/c19-13-1-5-15-9-10-17-7-3-14(20)4-8-18-12-11-16-6-2-13/h15-18H,1-12H2

InChIKeyAOQAWFLOJFQJED-UHFFFAOYSA-N

MW284.40 g/mol

LogP-0.94

Rot. Bonds

About 1,4,10,13-tetrazacyclooctadecane-7,16-dione

1,4,10,13-tetrazacyclooctadecane-7,16-dione (PubChem CID 156838374) has the molecular formula C₁₄H₂₈N₄O₂ and a molecular weight of 284.40 g/mol. Its IUPAC name is 1,4,10,13-tetrazacyclooctadecane-7,16-dione.

Molecular Properties

Compound Name	1,4,10,13-tetrazacyclooctadecane-7,16-dione
PubChem CID	156838374
Molecular Formula	C₁₄H₂₈N₄O₂
Molecular Weight	284.40 g/mol
Exact Mass	284.22
IUPAC Name	1,4,10,13-tetrazacyclooctadecane-7,16-dione
SMILES	O=C1CCNCCNCCC(=O)CCNCCNCC1
InChI	InChI=1S/C14H28N4O2/c19-13-1-5-15-9-10-17-7-3-14(20)4-8-18-12-11-16-6-2-13/h15-18H,1-12H2
InChIKey	AOQAWFLOJFQJED-UHFFFAOYSA-N
XLogP	-0.94
TPSA	82.26 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.40
LogP ≤ 5	-0.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,4,10,13-tetrazacyclooctadecane-7,16-dione?

The IUPAC name of 1,4,10,13-tetrazacyclooctadecane-7,16-dione (CID 156838374) is 1,4,10,13-tetrazacyclooctadecane-7,16-dione.

What is the SMILES notation for 1,4,10,13-tetrazacyclooctadecane-7,16-dione?

The canonical SMILES for 1,4,10,13-tetrazacyclooctadecane-7,16-dione is O=C1CCNCCNCCC(=O)CCNCCNCC1.

What is the InChIKey of 1,4,10,13-tetrazacyclooctadecane-7,16-dione?

The InChIKey is AOQAWFLOJFQJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c19-13-1-5-15-9-10-17-7-3-14(20)4-8-18-12-11-16-6-2-13/h15-18H,1-12H2.

What are the key properties of 1,4,10,13-tetrazacyclooctadecane-7,16-dione?

1,4,10,13-tetrazacyclooctadecane-7,16-dione has a molecular weight of 284.40 g/mol, XLogP of -0.94, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4,10,13-tetrazacyclooctadecane-7,16-dione is sourced from PubChem (CID 156838374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 156838374 — identifiers, structure, computed properties (public domain)

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