(2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene

C22H34N2O — CID 134526366

IUPAC(2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene
SMILESC=C/C=C1\C=C(/C)NCCCCCCCCNC(=C)/C(C)=C/OC1=C
InChIInChI=1S/C22H34N2O/c1-6-13-22-16-19(3)23-14-11-9-7-8-10-12-15-24-20(4)18(2)17-25-21(22)5/h6,13,16-17,23-24H,1,4-5,7-12,14-15H2,2-3H3/b18-17+,19-16+,22-13+
InChIKeyPZAVOKSDLHWJGA-GBXCRKMTSA-N
MW342.53 g/mol
LogP5.48
Rot. Bonds1

About (2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene

(2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene (PubChem CID 134526366) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is (2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene.

Molecular Properties

Compound Name(2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene
PubChem CID134526366
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name(2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene
SMILESC=C/C=C1\C=C(/C)NCCCCCCCCNC(=C)/C(C)=C/OC1=C
InChIInChI=1S/C22H34N2O/c1-6-13-22-16-19(3)23-14-11-9-7-8-10-12-15-24-20(4)18(2)17-25-21(22)5/h6,13,16-17,23-24H,1,4-5,7-12,14-15H2,2-3H3/b18-17+,19-16+,22-13+
InChIKeyPZAVOKSDLHWJGA-GBXCRKMTSA-N
XLogP5.48
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene?
The IUPAC name of (2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene (CID 134526366) is (2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene.
What is the SMILES notation for (2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene?
The canonical SMILES for (2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene is C=C/C=C1\C=C(/C)NCCCCCCCCNC(=C)/C(C)=C/OC1=C.
What is the InChIKey of (2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene?
The InChIKey is PZAVOKSDLHWJGA-GBXCRKMTSA-N. The full InChI is InChI=1S/C22H34N2O/c1-6-13-22-16-19(3)23-14-11-9-7-8-10-12-15-24-20(4)18(2)17-25-21(22)5/h6,13,16-17,23-24H,1,4-5,7-12,14-15H2,2-3H3/b18-17+,19-16+,22-13+.
What are the key properties of (2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene?
(2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene has a molecular weight of 342.53 g/mol, XLogP of 5.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene is sourced from PubChem (CID 134526366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).