(E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide

C23H24N2O — CID 681379

IUPAC(E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCCN(CC)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C23H24N2O/c1-3-25(4-2)21-15-13-20(14-16-21)24-23(26)17-12-19-10-7-9-18-8-5-6-11-22(18)19/h5-17H,3-4H2,1-2H3,(H,24,26)/b17-12+
InChIKeyNXMRRUDVWMQHRN-SFQUDFHCSA-N
MW344.46 g/mol
LogP5.34
Rot. Bonds6

About (E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 681379) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is (E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID681379
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name(E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCCN(CC)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1
InChIInChI=1S/C23H24N2O/c1-3-25(4-2)21-15-13-20(14-16-21)24-23(26)17-12-19-10-7-9-18-8-5-6-11-22(18)19/h5-17H,3-4H2,1-2H3,(H,24,26)/b17-12+
InChIKeyNXMRRUDVWMQHRN-SFQUDFHCSA-N
XLogP5.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide (CID 681379) is (E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide is CCN(CC)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1.
What is the InChIKey of (E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is NXMRRUDVWMQHRN-SFQUDFHCSA-N. The full InChI is InChI=1S/C23H24N2O/c1-3-25(4-2)21-15-13-20(14-16-21)24-23(26)17-12-19-10-7-9-18-8-5-6-11-22(18)19/h5-17H,3-4H2,1-2H3,(H,24,26)/b17-12+.
What are the key properties of (E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 344.46 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(diethylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 681379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).