(E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide

C17H19NO — CID 680995

IUPAC(E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C17H19NO/c1-3-18(4-2)17(19)13-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-13H,3-4H2,1-2H3/b13-12+
InChIKeyPJVJESCEUZCGKW-OUKQBFOZSA-N
MW253.35 g/mol
LogP3.72
Rot. Bonds4

About (E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide

(E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide (PubChem CID 680995) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide
PubChem CID680995
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C17H19NO/c1-3-18(4-2)17(19)13-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-13H,3-4H2,1-2H3/b13-12+
InChIKeyPJVJESCEUZCGKW-OUKQBFOZSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,N-diethyl-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide (CID 680995) is (E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide is CCN(CC)C(=O)/C=C/c1cccc2ccccc12.
What is the InChIKey of (E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is PJVJESCEUZCGKW-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-18(4-2)17(19)13-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-13H,3-4H2,1-2H3/b13-12+.
What are the key properties of (E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide?
(E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 253.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 680995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).