(E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one

C24H25NO — CID 73347338

IUPAC(E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one
SMILESCCN(CC)Cc1cccc(C(=O)/C=C/c2ccc3ccccc3c2)c1
InChIInChI=1S/C24H25NO/c1-3-25(4-2)18-20-8-7-11-23(17-20)24(26)15-13-19-12-14-21-9-5-6-10-22(21)16-19/h5-17H,3-4,18H2,1-2H3/b15-13+
InChIKeyJFFIRAIDEKPEGK-FYWRMAATSA-N
MW343.47 g/mol
LogP5.58
Rot. Bonds7

About (E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one

(E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one (PubChem CID 73347338) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one
PubChem CID73347338
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one
SMILESCCN(CC)Cc1cccc(C(=O)/C=C/c2ccc3ccccc3c2)c1
InChIInChI=1S/C24H25NO/c1-3-25(4-2)18-20-8-7-11-23(17-20)24(26)15-13-19-12-14-21-9-5-6-10-22(21)16-19/h5-17H,3-4,18H2,1-2H3/b15-13+
InChIKeyJFFIRAIDEKPEGK-FYWRMAATSA-N
XLogP5.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one (CID 73347338) is (E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one is CCN(CC)Cc1cccc(C(=O)/C=C/c2ccc3ccccc3c2)c1.
What is the InChIKey of (E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is JFFIRAIDEKPEGK-FYWRMAATSA-N. The full InChI is InChI=1S/C24H25NO/c1-3-25(4-2)18-20-8-7-11-23(17-20)24(26)15-13-19-12-14-21-9-5-6-10-22(21)16-19/h5-17H,3-4,18H2,1-2H3/b15-13+.
What are the key properties of (E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one?
(E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 343.47 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(diethylaminomethyl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 73347338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).