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

C20H22N2O6 — CID 24988768

IUPAC(E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(CNC(=O)COc2ccc(/C=C/C(=O)NO)cc2)c(OC)c1
InChIInChI=1S/C20H22N2O6/c1-26-17-9-6-15(18(11-17)27-2)12-21-20(24)13-28-16-7-3-14(4-8-16)5-10-19(23)22-25/h3-11,25H,12-13H2,1-2H3,(H,21,24)(H,22,23)/b10-5+
InChIKeyCPFMHPHHXJCJIM-BJMVGYQFSA-N
MW386.40 g/mol
LogP1.92
Rot. Bonds9

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

(E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 24988768) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is (E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide
PubChem CID24988768
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name(E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(CNC(=O)COc2ccc(/C=C/C(=O)NO)cc2)c(OC)c1
InChIInChI=1S/C20H22N2O6/c1-26-17-9-6-15(18(11-17)27-2)12-21-20(24)13-28-16-7-3-14(4-8-16)5-10-19(23)22-25/h3-11,25H,12-13H2,1-2H3,(H,21,24)(H,22,23)/b10-5+
InChIKeyCPFMHPHHXJCJIM-BJMVGYQFSA-N
XLogP1.92
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

(E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide
CID 24988428
N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide
CID 55577746
(E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide
CID 24988770
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]prop-2-enamide
CID 46590061
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7652672
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide
CID 4294808
N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
CID 71443665
5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 63363165
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257
(2,4-dimethoxyphenyl)methylurea
CID 53362457

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide (CID 24988768) is (E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide is COc1ccc(CNC(=O)COc2ccc(/C=C/C(=O)NO)cc2)c(OC)c1.
What is the InChIKey of (E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is CPFMHPHHXJCJIM-BJMVGYQFSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-26-17-9-6-15(18(11-17)27-2)12-21-20(24)13-28-16-7-3-14(4-8-16)5-10-19(23)22-25/h3-11,25H,12-13H2,1-2H3,(H,21,24)(H,22,23)/b10-5+.
What are the key properties of (E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 386.40 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24988768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).