(E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide

C14H20N2O3 — CID 2055602

IUPAC(E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCCN1CCOCC1
InChIInChI=1S/C14H20N2O3/c17-14(5-4-13-3-1-10-19-13)15-6-2-7-16-8-11-18-12-9-16/h1,3-5,10H,2,6-9,11-12H2,(H,15,17)/b5-4+
InChIKeyZKGNPZIJJMSWFO-SNAWJCMRSA-N
MW264.32 g/mol
LogP1.13
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide (PubChem CID 2055602) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
PubChem CID2055602
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCCN1CCOCC1
InChIInChI=1S/C14H20N2O3/c17-14(5-4-13-3-1-10-19-13)15-6-2-7-16-8-11-18-12-9-16/h1,3-5,10H,2,6-9,11-12H2,(H,15,17)/b5-4+
InChIKeyZKGNPZIJJMSWFO-SNAWJCMRSA-N
XLogP1.13
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
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-(3-morpholin-4-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide (CID 2055602) is (E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide is O=C(/C=C/c1ccco1)NCCCN1CCOCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The InChIKey is ZKGNPZIJJMSWFO-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-14(5-4-13-3-1-10-19-13)15-6-2-7-16-8-11-18-12-9-16/h1,3-5,10H,2,6-9,11-12H2,(H,15,17)/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide has a molecular weight of 264.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide is sourced from PubChem (CID 2055602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).