(E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide

C18H23N3O3 — CID 929418

IUPAC(E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O3/c19-13-14(18(22)20-15-4-2-1-3-5-15)12-16-6-7-17(24-16)21-8-10-23-11-9-21/h6-7,12,15H,1-5,8-11H2,(H,20,22)/b14-12+
InChIKeyAPSOMBILXZWHQR-WYMLVPIESA-N
MW329.40 g/mol
LogP2.47
Rot. Bonds4

About (E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide

(E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide (PubChem CID 929418) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
PubChem CID929418
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O3/c19-13-14(18(22)20-15-4-2-1-3-5-15)12-16-6-7-17(24-16)21-8-10-23-11-9-21/h6-7,12,15H,1-5,8-11H2,(H,20,22)/b14-12+
InChIKeyAPSOMBILXZWHQR-WYMLVPIESA-N
XLogP2.47
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', '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)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide (CID 929418) is (E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide is N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NC1CCCCC1.
What is the InChIKey of (E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide?
The InChIKey is APSOMBILXZWHQR-WYMLVPIESA-N. The full InChI is InChI=1S/C18H23N3O3/c19-13-14(18(22)20-15-4-2-1-3-5-15)12-16-6-7-17(24-16)21-8-10-23-11-9-21/h6-7,12,15H,1-5,8-11H2,(H,20,22)/b14-12+.
What are the key properties of (E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide?
(E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide has a molecular weight of 329.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 929418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).