ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide

C24H35NO2 — CID 177358163

IUPACethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide
SMILESC=C.C=C/C=C\C(=C/C)c1ccc(C(=O)N/C(C=C)=C/C=C)o1.CC.CC
InChIInChI=1S/C18H19NO2.2C2H6.C2H4/c1-5-9-11-14(7-3)16-12-13-17(21-16)18(20)19-15(8-4)10-6-2;3*1-2/h5-13H,1-2,4H2,3H3,(H,19,20);2*1-2H3;1-2H2/b11-9-,14-7+,15-10+;;;
InChIKeyBBQFADMIIFSIQH-RPSDFMQRSA-N
MW369.55 g/mol
LogP7.27
Rot. Bonds7

About ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide

ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide (PubChem CID 177358163) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Nameethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide
PubChem CID177358163
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Nameethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide
SMILESC=C.C=C/C=C\C(=C/C)c1ccc(C(=O)N/C(C=C)=C/C=C)o1.CC.CC
InChIInChI=1S/C18H19NO2.2C2H6.C2H4/c1-5-9-11-14(7-3)16-12-13-17(21-16)18(20)19-15(8-4)10-6-2;3*1-2/h5-13H,1-2,4H2,3H3,(H,19,20);2*1-2H3;1-2H2/b11-9-,14-7+,15-10+;;;
InChIKeyBBQFADMIIFSIQH-RPSDFMQRSA-N
XLogP7.27
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide?
The IUPAC name of ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide (CID 177358163) is ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide.
What is the SMILES notation for ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide?
The canonical SMILES for ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide is C=C.C=C/C=C\C(=C/C)c1ccc(C(=O)N/C(C=C)=C/C=C)o1.CC.CC.
What is the InChIKey of ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide?
The InChIKey is BBQFADMIIFSIQH-RPSDFMQRSA-N. The full InChI is InChI=1S/C18H19NO2.2C2H6.C2H4/c1-5-9-11-14(7-3)16-12-13-17(21-16)18(20)19-15(8-4)10-6-2;3*1-2/h5-13H,1-2,4H2,3H3,(H,19,20);2*1-2H3;1-2H2/b11-9-,14-7+,15-10+;;;.
What are the key properties of ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide?
ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide has a molecular weight of 369.55 g/mol, XLogP of 7.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]furan-2-carboxamide is sourced from PubChem (CID 177358163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).