(E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

C19H22N2O4 — CID 155529983

IUPAC(E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(OC)c(CNCc2ccc(/C=C/C(=O)NO)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-24-17-8-9-18(25-2)16(11-17)13-20-12-15-5-3-14(4-6-15)7-10-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b10-7+
InChIKeyKAUTUEATDFNOIZ-JXMROGBWSA-N
MW342.40 g/mol
LogP2.51
Rot. Bonds8

About (E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 155529983) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID155529983
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(OC)c(CNCc2ccc(/C=C/C(=O)NO)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-24-17-8-9-18(25-2)16(11-17)13-20-12-15-5-3-14(4-6-15)7-10-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b10-7+
InChIKeyKAUTUEATDFNOIZ-JXMROGBWSA-N
XLogP2.51
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-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

25I-NBOMe
CID 10251906
25D-Nbome
CID 118536027
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-4-methylphenyl)methyl)amino)-6-methyl-
CID 454368
2,5-Dimethoxy-N-((2-methoxyphenyl)methyl)benzeneethanamine
CID 39424372
4-Ethyl-2,5-dimethoxy-N-((2-methoxyphenyl)methyl)benzeneethanamine
CID 118796522
N-hydroxy-4-({[(3-methoxyphenyl)methyl]amino}methyl)benzamide
CID 25218543
2-[4-iodo-5-methoxy-2-(tritritiomethoxy)phenyl]-N-[[2-(tritritiomethoxy)phenyl]methyl]ethanamine
CID 44586410
(E)-N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide
CID 11077840
(E)-N-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 49846994
5-[4-[(Dimethylamino)methyl]-2,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one
CID 127049282
25CN-NBOMe
CID 152743520
Monoamine derivative 4
CID 1990821

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 155529983) is (E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is COc1ccc(OC)c(CNCc2ccc(/C=C/C(=O)NO)cc2)c1.
What is the InChIKey of (E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is KAUTUEATDFNOIZ-JXMROGBWSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-17-8-9-18(25-2)16(11-17)13-20-12-15-5-3-14(4-6-15)7-10-19(22)21-23/h3-11,20,23H,12-13H2,1-2H3,(H,21,22)/b10-7+.
What are the key properties of (E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[(2,5-dimethoxyphenyl)methylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 155529983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).