(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide

C23H25N3O3 — CID 19329205

IUPAC(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2ccn(C)n2)cc1COc1ccc(C)cc1
InChIInChI=1S/C23H25N3O3/c1-17-4-8-21(9-5-17)29-16-19-14-18(6-10-22(19)28-3)7-11-23(27)24-15-20-12-13-26(2)25-20/h4-14H,15-16H2,1-3H3,(H,24,27)/b11-7+
InChIKeySFZKQQDLJFYWRK-YRNVUSSQSA-N
MW391.47 g/mol
LogP3.65
Rot. Bonds8

About (E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide

(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide (PubChem CID 19329205) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide
PubChem CID19329205
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2ccn(C)n2)cc1COc1ccc(C)cc1
InChIInChI=1S/C23H25N3O3/c1-17-4-8-21(9-5-17)29-16-19-14-18(6-10-22(19)28-3)7-11-23(27)24-15-20-12-13-26(2)25-20/h4-14H,15-16H2,1-3H3,(H,24,27)/b11-7+
InChIKeySFZKQQDLJFYWRK-YRNVUSSQSA-N
XLogP3.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-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

(E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19328900
(E)-3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide
CID 19329215
3-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-1-(1-methylpyrazol-3-yl)prop-2-en-1-one
CID 4863075
(E)-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19325962
(E)-1-(2,5-dimethoxyphenyl)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-en-1-one
CID 19568773
(E)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19409641
(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
CID 19322741
(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19288822
(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
CID 19566973
(E)-N-(1,3-dimethylpyrazol-4-yl)-3-[4-methoxy-3-[(3-methylphenoxy)methyl]phenyl]prop-2-enamide
CID 19346055
(E)-3-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]-N-[(1-ethylpyrazol-4-yl)methyl]prop-2-enamide
CID 6283973
(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19336206

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide (CID 19329205) is (E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCc2ccn(C)n2)cc1COc1ccc(C)cc1.
What is the InChIKey of (E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide?
The InChIKey is SFZKQQDLJFYWRK-YRNVUSSQSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-4-8-21(9-5-17)29-16-19-14-18(6-10-22(19)28-3)7-11-23(27)24-15-20-12-13-26(2)25-20/h4-14H,15-16H2,1-3H3,(H,24,27)/b11-7+.
What are the key properties of (E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide?
(E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide has a molecular weight of 391.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]-N-[(1-methylpyrazol-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 19329205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).