3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene

C20H34N2O3 — CID 156707077

IUPAC3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene
SMILESC=C.C=Cc1oc(C)c(N(C=O)CCC(=O)NC)c1C=C.CC.CC
InChIInChI=1S/C14H18N2O3.2C2H6.C2H4/c1-5-11-12(6-2)19-10(3)14(11)16(9-17)8-7-13(18)15-4;3*1-2/h5-6,9H,1-2,7-8H2,3-4H3,(H,15,18);2*1-2H3;1-2H2
InChIKeyPORYFGHZXXZEIY-UHFFFAOYSA-N
MW350.50 g/mol
LogP4.83
Rot. Bonds7

About 3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene

3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene (PubChem CID 156707077) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is 3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene.

Molecular Properties

Compound Name3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene
PubChem CID156707077
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene
SMILESC=C.C=Cc1oc(C)c(N(C=O)CCC(=O)NC)c1C=C.CC.CC
InChIInChI=1S/C14H18N2O3.2C2H6.C2H4/c1-5-11-12(6-2)19-10(3)14(11)16(9-17)8-7-13(18)15-4;3*1-2/h5-6,9H,1-2,7-8H2,3-4H3,(H,15,18);2*1-2H3;1-2H2
InChIKeyPORYFGHZXXZEIY-UHFFFAOYSA-N
XLogP4.83
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene?
The IUPAC name of 3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene (CID 156707077) is 3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene.
What is the SMILES notation for 3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene?
The canonical SMILES for 3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene is C=C.C=Cc1oc(C)c(N(C=O)CCC(=O)NC)c1C=C.CC.CC.
What is the InChIKey of 3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene?
The InChIKey is PORYFGHZXXZEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.2C2H6.C2H4/c1-5-11-12(6-2)19-10(3)14(11)16(9-17)8-7-13(18)15-4;3*1-2/h5-6,9H,1-2,7-8H2,3-4H3,(H,15,18);2*1-2H3;1-2H2.
What are the key properties of 3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene?
3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene has a molecular weight of 350.50 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,5-bis(ethenyl)-2-methylfuran-3-yl]-formylamino]-N-methylpropanamide;ethane;ethene is sourced from PubChem (CID 156707077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).