(E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide

C21H25NO2 — CID 10615917

IUPAC(E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide
SMILESCCN(CC)C(=O)/C=C(\C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-4-22(5-2)21(23)15-17(3)19-11-13-20(14-12-19)24-16-18-9-7-6-8-10-18/h6-15H,4-5,16H2,1-3H3/b17-15+
InChIKeyLEVNNQYNKZIXSM-BMRADRMJSA-N
MW323.44 g/mol
LogP4.54
Rot. Bonds7

About (E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide

(E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide (PubChem CID 10615917) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide
PubChem CID10615917
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide
SMILESCCN(CC)C(=O)/C=C(\C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-4-22(5-2)21(23)15-17(3)19-11-13-20(14-12-19)24-16-18-9-7-6-8-10-18/h6-15H,4-5,16H2,1-3H3/b17-15+
InChIKeyLEVNNQYNKZIXSM-BMRADRMJSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-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,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide (CID 10615917) is (E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide is CCN(CC)C(=O)/C=C(\C)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide?
The InChIKey is LEVNNQYNKZIXSM-BMRADRMJSA-N. The full InChI is InChI=1S/C21H25NO2/c1-4-22(5-2)21(23)15-17(3)19-11-13-20(14-12-19)24-16-18-9-7-6-8-10-18/h6-15H,4-5,16H2,1-3H3/b17-15+.
What are the key properties of (E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide?
(E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide has a molecular weight of 323.44 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-(4-phenylmethoxyphenyl)but-2-enamide is sourced from PubChem (CID 10615917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).