(E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide

C20H22N2O6 — CID 24988770

IUPAC(E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide
SMILESCOc1ccccc1OCCNC(=O)COc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C20H22N2O6/c1-26-17-4-2-3-5-18(17)27-13-12-21-20(24)14-28-16-9-6-15(7-10-16)8-11-19(23)22-25/h2-11,25H,12-14H2,1H3,(H,21,24)(H,22,23)/b11-8+
InChIKeyZUPSUARTJCPQGQ-DHZHZOJOSA-N
MW386.40 g/mol
LogP1.79
Rot. Bonds10

About (E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide (PubChem CID 24988770) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide
PubChem CID24988770
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name(E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide
SMILESCOc1ccccc1OCCNC(=O)COc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C20H22N2O6/c1-26-17-4-2-3-5-18(17)27-13-12-21-20(24)14-28-16-9-6-15(7-10-16)8-11-19(23)22-25/h2-11,25H,12-14H2,1H3,(H,21,24)(H,22,23)/b11-8+
InChIKeyZUPSUARTJCPQGQ-DHZHZOJOSA-N
XLogP1.79
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

2-(4-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 3647692
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
(E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide
CID 24988428
(E)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide
CID 24988768
N-[2-(4-chlorophenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 9007896
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161276
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethylcarbamothioyl]prop-2-enamide
CID 2936829
(E)-3-(4-ethoxyphenyl)-N-[[[2-(2-methoxyphenoxy)acetyl]amino]carbamothioyl]prop-2-enamide
CID 17227664
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555515

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide (CID 24988770) is (E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide is COc1ccccc1OCCNC(=O)COc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide?
The InChIKey is ZUPSUARTJCPQGQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-26-17-4-2-3-5-18(17)27-13-12-21-20(24)14-28-16-9-6-15(7-10-16)8-11-19(23)22-25/h2-11,25H,12-14H2,1H3,(H,21,24)(H,22,23)/b11-8+.
What are the key properties of (E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide has a molecular weight of 386.40 g/mol, XLogP of 1.79, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 24988770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).