(15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione

C22H38N2O4 — CID 56652237

IUPAC(15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione
SMILESC/C1=N\N=C(/C)CCCCCCOC(=O)CCCCC(=O)OCCCCCC1
InChIInChI=1S/C22H38N2O4/c1-19-13-7-3-5-11-17-27-21(25)15-9-10-16-22(26)28-18-12-6-4-8-14-20(2)24-23-19/h3-18H2,1-2H3/b23-19+,24-20+
InChIKeyMFNUIEPMXLTTRJ-BLVCXSLXSA-N
MW394.56 g/mol
LogP5.38
Rot. Bonds

About (15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione

(15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione (PubChem CID 56652237) has the molecular formula C22H38N2O4 and a molecular weight of 394.56 g/mol. Its IUPAC name is (15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione.

Molecular Properties

Compound Name(15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione
PubChem CID56652237
Molecular FormulaC22H38N2O4
Molecular Weight394.56 g/mol
Exact Mass394.28
IUPAC Name(15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione
SMILESC/C1=N\N=C(/C)CCCCCCOC(=O)CCCCC(=O)OCCCCCC1
InChIInChI=1S/C22H38N2O4/c1-19-13-7-3-5-11-17-27-21(25)15-9-10-16-22(26)28-18-12-6-4-8-14-20(2)24-23-19/h3-18H2,1-2H3/b23-19+,24-20+
InChIKeyMFNUIEPMXLTTRJ-BLVCXSLXSA-N
XLogP5.38
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione?
The IUPAC name of (15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione (CID 56652237) is (15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione.
What is the SMILES notation for (15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione?
The canonical SMILES for (15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione is C/C1=N\N=C(/C)CCCCCCOC(=O)CCCCC(=O)OCCCCCC1.
What is the InChIKey of (15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione?
The InChIKey is MFNUIEPMXLTTRJ-BLVCXSLXSA-N. The full InChI is InChI=1S/C22H38N2O4/c1-19-13-7-3-5-11-17-27-21(25)15-9-10-16-22(26)28-18-12-6-4-8-14-20(2)24-23-19/h3-18H2,1-2H3/b23-19+,24-20+.
What are the key properties of (15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione?
(15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione has a molecular weight of 394.56 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (15Z,17Z)-15,18-dimethyl-1,8-dioxa-16,17-diazacyclotetracosa-15,17-diene-2,7-dione is sourced from PubChem (CID 56652237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).