ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione

C23H26N2O4 — CID 144532464

IUPACethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione
SMILESC=C/C=c1/cc2c(n/c1=C/C)C1=CC3C(COC(=O)C3OC=C)C(=O)N1C2.CC
InChIInChI=1S/C21H20N2O4.C2H6/c1-4-7-12-8-13-10-23-17(18(13)22-16(12)5-2)9-14-15(20(23)24)11-27-21(25)19(14)26-6-3;1-2/h4-9,14-15,19H,1,3,10-11H2,2H3;1-2H3/b12-7-,16-5+;
InChIKeyPXQDANQSMDVPHR-BGLWKDMMSA-N
MW394.47 g/mol
LogP1.89
Rot. Bonds3

About ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione

ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione (PubChem CID 144532464) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione.

Molecular Properties

Compound Nameethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione
PubChem CID144532464
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nameethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione
SMILESC=C/C=c1/cc2c(n/c1=C/C)C1=CC3C(COC(=O)C3OC=C)C(=O)N1C2.CC
InChIInChI=1S/C21H20N2O4.C2H6/c1-4-7-12-8-13-10-23-17(18(13)22-16(12)5-2)9-14-15(20(23)24)11-27-21(25)19(14)26-6-3;1-2/h4-9,14-15,19H,1,3,10-11H2,2H3;1-2H3/b12-7-,16-5+;
InChIKeyPXQDANQSMDVPHR-BGLWKDMMSA-N
XLogP1.89
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione?
The IUPAC name of ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione (CID 144532464) is ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione.
What is the SMILES notation for ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione?
The canonical SMILES for ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione is C=C/C=c1/cc2c(n/c1=C/C)C1=CC3C(COC(=O)C3OC=C)C(=O)N1C2.CC.
What is the InChIKey of ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione?
The InChIKey is PXQDANQSMDVPHR-BGLWKDMMSA-N. The full InChI is InChI=1S/C21H20N2O4.C2H6/c1-4-7-12-8-13-10-23-17(18(13)22-16(12)5-2)9-14-15(20(23)24)11-27-21(25)19(14)26-6-3;1-2/h4-9,14-15,19H,1,3,10-11H2,2H3;1-2H3/b12-7-,16-5+;.
What are the key properties of ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione?
ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione has a molecular weight of 394.47 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(13E,14Z)-7-ethenoxy-13-ethylidene-14-prop-2-enylidene-5-oxa-1,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-9,11,15-triene-2,6-dione is sourced from PubChem (CID 144532464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).