(E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide

C23H26NO4- — CID 58114369

IUPAC(E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide
SMILESCOc1ccc(COc2c(/C=C/C(=O)N[O-])ccc(C)c2CC=C(C)C)cc1
InChIInChI=1S/C23H26NO4/c1-16(2)5-13-21-17(3)6-9-19(10-14-22(25)24-26)23(21)28-15-18-7-11-20(27-4)12-8-18/h5-12,14H,13,15H2,1-4H3,(H-,24,25,26)/q-1/b14-10+
InChIKeyFENSPQBZPLVPLU-GXDHUFHOSA-N
MW380.46 g/mol
LogP4.72
Rot. Bonds8

About (E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide

(E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide (PubChem CID 58114369) has the molecular formula C23H26NO4- and a molecular weight of 380.46 g/mol. Its IUPAC name is (E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide
PubChem CID58114369
Molecular FormulaC23H26NO4-
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name(E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide
SMILESCOc1ccc(COc2c(/C=C/C(=O)N[O-])ccc(C)c2CC=C(C)C)cc1
InChIInChI=1S/C23H26NO4/c1-16(2)5-13-21-17(3)6-9-19(10-14-22(25)24-26)23(21)28-15-18-7-11-20(27-4)12-8-18/h5-12,14H,13,15H2,1-4H3,(H-,24,25,26)/q-1/b14-10+
InChIKeyFENSPQBZPLVPLU-GXDHUFHOSA-N
XLogP4.72
TPSA70.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-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)-3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide
CID 59532676
(E)-3-[4-methyl-3-(3-methylbut-2-enyl)-2-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-N-oxidoprop-2-enamide
CID 58114384
(E)-3-[4-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxy]-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide
CID 58114355
(E)-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-[[4-(trichloromethoxy)phenyl]methoxy]phenyl]-N-oxidoprop-2-enamide
CID 59532683
(Z)-3-[2-[(4-bromophenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 58433894
(Z)-N-(2-aminophenyl)-3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]-3-(3-methylbut-2-enyl)phenyl]prop-2-enamide
CID 46932634
(Z)-N-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)-2-phenylmethoxyphenyl]prop-2-enamide
CID 46932635
(E)-3-[2-[(4-ethylphenyl)methoxy]-4-methoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
CID 147754129
(E)-1-[2-hydroxy-4-methyl-3-(3-methylbut-2-enyl)phenyl]-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 158805588
(E)-N-(2-aminophenyl)-3-[2-[(4-bromophenyl)methoxy]-4-(hydroxymethyl)-3-(3-methylbut-2-enyl)phenyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[2-[(4-chlorophenyl)methoxy]-4-(hydroxymethyl)-3-(3-methylbut-2-enyl)phenyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[2-[(4-fluorophenyl)methoxy]-4-(hydroxymethyl)-3-(3-methylbut-2-enyl)phenyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[4-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxy]-3-(3-methylbut-2-enyl)phenyl]prop-2-enamide;(E)-3-[2-[(4-chlorophenyl)methoxy]-4-(hydroxymethyl)-3-(3-methylbut-2-enyl)phenyl]-N-hydroxyprop-2-enamide
CID 160666829
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4307222

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide?
The IUPAC name of (E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide (CID 58114369) is (E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide.
What is the SMILES notation for (E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide?
The canonical SMILES for (E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide is COc1ccc(COc2c(/C=C/C(=O)N[O-])ccc(C)c2CC=C(C)C)cc1.
What is the InChIKey of (E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide?
The InChIKey is FENSPQBZPLVPLU-GXDHUFHOSA-N. The full InChI is InChI=1S/C23H26NO4/c1-16(2)5-13-21-17(3)6-9-19(10-14-22(25)24-26)23(21)28-15-18-7-11-20(27-4)12-8-18/h5-12,14H,13,15H2,1-4H3,(H-,24,25,26)/q-1/b14-10+.
What are the key properties of (E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide?
(E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide has a molecular weight of 380.46 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(4-methoxyphenyl)methoxy]-4-methyl-3-(3-methylbut-2-enyl)phenyl]-N-oxidoprop-2-enamide is sourced from PubChem (CID 58114369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).