(E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide

C26H25N3O — CID 71520168

IUPAC(E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C26H25N3O/c30-25(17-16-20-10-2-1-3-11-20)27-18-8-9-19-28-26-21-12-4-6-14-23(21)29-24-15-7-5-13-22(24)26/h1-7,10-17H,8-9,18-19H2,(H,27,30)(H,28,29)/b17-16+
InChIKeyQMTRJXKHEIELHU-WUKNDPDISA-N
MW395.51 g/mol
LogP5.41
Rot. Bonds8

About (E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide

(E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide (PubChem CID 71520168) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is (E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide
PubChem CID71520168
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name(E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCCNc1c2ccccc2nc2ccccc12
InChIInChI=1S/C26H25N3O/c30-25(17-16-20-10-2-1-3-11-20)27-18-8-9-19-28-26-21-12-4-6-14-23(21)29-24-15-7-5-13-22(24)26/h1-7,10-17H,8-9,18-19H2,(H,27,30)(H,28,29)/b17-16+
InChIKeyQMTRJXKHEIELHU-WUKNDPDISA-N
XLogP5.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-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

Related Compounds

N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
JP1302
CID 540335
Bis(7)-tacrine
CID 9549196
SB 222200
CID 6604009
Acetanilide, 4'-(9-acridinylamino)-
CID 47508
N-Methyl-9-acridinamine
CID 31503
9-Acridinamine, N-(phenylmethyl)-
CID 149800
2-Phenyl-4-(2-(4-piperidinyl)ethyl)quinoline
CID 71219
Quindecamine
CID 21943
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
Bis(3)-cognitin
CID 12069888
N-Phenyl-9-acridinamine
CID 18757

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide (CID 71520168) is (E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCCCNc1c2ccccc2nc2ccccc12.
What is the InChIKey of (E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide?
The InChIKey is QMTRJXKHEIELHU-WUKNDPDISA-N. The full InChI is InChI=1S/C26H25N3O/c30-25(17-16-20-10-2-1-3-11-20)27-18-8-9-19-28-26-21-12-4-6-14-23(21)29-24-15-7-5-13-22(24)26/h1-7,10-17H,8-9,18-19H2,(H,27,30)(H,28,29)/b17-16+.
What are the key properties of (E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide?
(E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide has a molecular weight of 395.51 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(acridin-9-ylamino)butyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 71520168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).