(14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione

C21H36N2O4 — CID 56652236

IUPAC(14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione
SMILESC/C1=N/N=C(/C)CCCCCCOC(=O)CCCC(=O)OCCCCCC1
InChIInChI=1S/C21H36N2O4/c1-18-12-7-3-5-9-16-26-20(24)14-11-15-21(25)27-17-10-6-4-8-13-19(2)23-22-18/h3-17H2,1-2H3/b22-18-,23-19-
InChIKeyPMJJKZHXZAWECU-RSFSRFMPSA-N
MW380.53 g/mol
LogP4.99
Rot. Bonds

About (14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione

(14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione (PubChem CID 56652236) has the molecular formula C21H36N2O4 and a molecular weight of 380.53 g/mol. Its IUPAC name is (14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione.

Molecular Properties

Compound Name(14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione
PubChem CID56652236
Molecular FormulaC21H36N2O4
Molecular Weight380.53 g/mol
Exact Mass380.27
IUPAC Name(14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione
SMILESC/C1=N/N=C(/C)CCCCCCOC(=O)CCCC(=O)OCCCCCC1
InChIInChI=1S/C21H36N2O4/c1-18-12-7-3-5-9-16-26-20(24)14-11-15-21(25)27-17-10-6-4-8-13-19(2)23-22-18/h3-17H2,1-2H3/b22-18-,23-19-
InChIKeyPMJJKZHXZAWECU-RSFSRFMPSA-N
XLogP4.99
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione?
The IUPAC name of (14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione (CID 56652236) is (14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione.
What is the SMILES notation for (14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione?
The canonical SMILES for (14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione is C/C1=N/N=C(/C)CCCCCCOC(=O)CCCC(=O)OCCCCCC1.
What is the InChIKey of (14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione?
The InChIKey is PMJJKZHXZAWECU-RSFSRFMPSA-N. The full InChI is InChI=1S/C21H36N2O4/c1-18-12-7-3-5-9-16-26-20(24)14-11-15-21(25)27-17-10-6-4-8-13-19(2)23-22-18/h3-17H2,1-2H3/b22-18-,23-19-.
What are the key properties of (14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione?
(14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione has a molecular weight of 380.53 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (14Z,16Z)-14,17-dimethyl-1,7-dioxa-15,16-diazacyclotricosa-14,16-diene-2,6-dione is sourced from PubChem (CID 56652236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).