(E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide

C18H19NO3 — CID 50898695

IUPAC(E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)CCC(=O)NCCO
InChIInChI=1S/C18H19NO3/c20-12-11-19-18(22)10-9-17(21)8-6-14-5-7-15-3-1-2-4-16(15)13-14/h1-8,13,20H,9-12H2,(H,19,22)/b8-6+
InChIKeyRQVUMULNDKKRDG-SOFGYWHQSA-N
MW297.35 g/mol
LogP2.31
Rot. Bonds7

About (E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide

(E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide (PubChem CID 50898695) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide
PubChem CID50898695
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)CCC(=O)NCCO
InChIInChI=1S/C18H19NO3/c20-12-11-19-18(22)10-9-17(21)8-6-14-5-7-15-3-1-2-4-16(15)13-14/h1-8,13,20H,9-12H2,(H,19,22)/b8-6+
InChIKeyRQVUMULNDKKRDG-SOFGYWHQSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
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-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide (CID 50898695) is (E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide is O=C(/C=C/c1ccc2ccccc2c1)CCC(=O)NCCO.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide?
The InChIKey is RQVUMULNDKKRDG-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H19NO3/c20-12-11-19-18(22)10-9-17(21)8-6-14-5-7-15-3-1-2-4-16(15)13-14/h1-8,13,20H,9-12H2,(H,19,22)/b8-6+.
What are the key properties of (E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide?
(E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide has a molecular weight of 297.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-6-naphthalen-2-yl-4-oxohex-5-enamide is sourced from PubChem (CID 50898695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).