(E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C15H23NO4 — CID 60538101

IUPAC(E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOCCCN(CCOC)C(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C15H23NO4/c1-13-5-6-14(20-13)7-8-15(17)16(10-12-19-3)9-4-11-18-2/h5-8H,4,9-12H2,1-3H3/b8-7+
InChIKeyJINAXUUKXSJNIW-BQYQJAHWSA-N
MW281.35 g/mol
LogP2.11
Rot. Bonds9

About (E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 60538101) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID60538101
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOCCCN(CCOC)C(=O)/C=C/c1ccc(C)o1
InChIInChI=1S/C15H23NO4/c1-13-5-6-14(20-13)7-8-15(17)16(10-12-19-3)9-4-11-18-2/h5-8H,4,9-12H2,1-3H3/b8-7+
InChIKeyJINAXUUKXSJNIW-BQYQJAHWSA-N
XLogP2.11
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
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)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 60538101) is (E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide is COCCCN(CCOC)C(=O)/C=C/c1ccc(C)o1.
What is the InChIKey of (E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is JINAXUUKXSJNIW-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H23NO4/c1-13-5-6-14(20-13)7-8-15(17)16(10-12-19-3)9-4-11-18-2/h5-8H,4,9-12H2,1-3H3/b8-7+.
What are the key properties of (E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 281.35 g/mol, XLogP of 2.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 60538101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).