(E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C17H19NO3 — CID 60576849

IUPAC(E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C2CC2)C(C)c2ccco2)o1
InChIInChI=1S/C17H19NO3/c1-12-5-8-15(21-12)9-10-17(19)18(14-6-7-14)13(2)16-4-3-11-20-16/h3-5,8-11,13-14H,6-7H2,1-2H3/b10-9+
InChIKeyPOULJQXOBOODRY-MDZDMXLPSA-N
MW285.34 g/mol
LogP3.95
Rot. Bonds5

About (E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 60576849) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID60576849
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(C2CC2)C(C)c2ccco2)o1
InChIInChI=1S/C17H19NO3/c1-12-5-8-15(21-12)9-10-17(19)18(14-6-7-14)13(2)16-4-3-11-20-16/h3-5,8-11,13-14H,6-7H2,1-2H3/b10-9+
InChIKeyPOULJQXOBOODRY-MDZDMXLPSA-N
XLogP3.95
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 60576849) is (E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)N(C2CC2)C(C)c2ccco2)o1.
What is the InChIKey of (E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is POULJQXOBOODRY-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-5-8-15(21-12)9-10-17(19)18(14-6-7-14)13(2)16-4-3-11-20-16/h3-5,8-11,13-14H,6-7H2,1-2H3/b10-9+.
What are the key properties of (E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 285.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 60576849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).