(E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide

C18H20N2O4 — CID 2293004

IUPAC(E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCCCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C18H20N2O4/c21-17(9-7-15-5-3-13-23-15)19-11-1-2-12-20-18(22)10-8-16-6-4-14-24-16/h3-10,13-14H,1-2,11-12H2,(H,19,21)(H,20,22)/b9-7+,10-8+
InChIKeyRREMYOXQAFNCDU-FIFLTTCUSA-N
MW328.37 g/mol
LogP2.61
Rot. Bonds9

About (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide (PubChem CID 2293004) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide
PubChem CID2293004
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCCCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C18H20N2O4/c21-17(9-7-15-5-3-13-23-15)19-11-1-2-12-20-18(22)10-8-16-6-4-14-24-16/h3-10,13-14H,1-2,11-12H2,(H,19,21)(H,20,22)/b9-7+,10-8+
InChIKeyRREMYOXQAFNCDU-FIFLTTCUSA-N
XLogP2.61
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide (CID 2293004) is (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide is O=C(/C=C/c1ccco1)NCCCCNC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide?
The InChIKey is RREMYOXQAFNCDU-FIFLTTCUSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(9-7-15-5-3-13-23-15)19-11-1-2-12-20-18(22)10-8-16-6-4-14-24-16/h3-10,13-14H,1-2,11-12H2,(H,19,21)(H,20,22)/b9-7+,10-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide has a molecular weight of 328.37 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]butyl]prop-2-enamide is sourced from PubChem (CID 2293004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).