(E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide

C25H21NO2 — CID 102573000

IUPAC(E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide
SMILESCN(OCc1c2ccccc2cc2ccccc12)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C25H21NO2/c1-26(25(27)16-15-19-9-3-2-4-10-19)28-18-24-22-13-7-5-11-20(22)17-21-12-6-8-14-23(21)24/h2-17H,18H2,1H3/b16-15+
InChIKeyXNYFRVDAMLDAHY-FOCLMDBBSA-N
MW367.45 g/mol
LogP5.60
Rot. Bonds5

About (E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide

(E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide (PubChem CID 102573000) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide
PubChem CID102573000
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name(E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide
SMILESCN(OCc1c2ccccc2cc2ccccc12)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C25H21NO2/c1-26(25(27)16-15-19-9-3-2-4-10-19)28-18-24-22-13-7-5-11-20(22)17-21-12-6-8-14-23(21)24/h2-17H,18H2,1H3/b16-15+
InChIKeyXNYFRVDAMLDAHY-FOCLMDBBSA-N
XLogP5.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (E)-N-(anthracen-9-ylmethoxy)-N-methyl-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

Frequently Asked Questions

What is the IUPAC name of (E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide (CID 102573000) is (E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide is CN(OCc1c2ccccc2cc2ccccc12)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide?
The InChIKey is XNYFRVDAMLDAHY-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H21NO2/c1-26(25(27)16-15-19-9-3-2-4-10-19)28-18-24-22-13-7-5-11-20(22)17-21-12-6-8-14-23(21)24/h2-17H,18H2,1H3/b16-15+.
What are the key properties of (E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide?
(E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide has a molecular weight of 367.45 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(anthracen-9-ylmethoxy)-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 102573000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).