(E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide

C21H24N2O7 — CID 24988428

IUPAC(E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide
SMILESCOc1cc(CNC(=O)COc2ccc(/C=C/C(=O)NO)cc2)cc(OC)c1OC
InChIInChI=1S/C21H24N2O7/c1-27-17-10-15(11-18(28-2)21(17)29-3)12-22-20(25)13-30-16-7-4-14(5-8-16)6-9-19(24)23-26/h4-11,26H,12-13H2,1-3H3,(H,22,25)(H,23,24)/b9-6+
InChIKeyLFSISQSDBLVLRN-RMKNXTFCSA-N
MW416.43 g/mol
LogP1.93
Rot. Bonds10

About (E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide (PubChem CID 24988428) has the molecular formula C21H24N2O7 and a molecular weight of 416.43 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide
PubChem CID24988428
Molecular FormulaC21H24N2O7
Molecular Weight416.43 g/mol
Exact Mass416.16
IUPAC Name(E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide
SMILESCOc1cc(CNC(=O)COc2ccc(/C=C/C(=O)NO)cc2)cc(OC)c1OC
InChIInChI=1S/C21H24N2O7/c1-27-17-10-15(11-18(28-2)21(17)29-3)12-22-20(25)13-30-16-7-4-14(5-8-16)6-9-19(24)23-26/h4-11,26H,12-13H2,1-3H3,(H,22,25)(H,23,24)/b9-6+
InChIKeyLFSISQSDBLVLRN-RMKNXTFCSA-N
XLogP1.93
TPSA115.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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)-3-[4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]phenyl]-N-hydroxyprop-2-enamide
CID 24988768
2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9012523
(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 46575969
(E)-N-hydroxy-3-[4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]phenyl]prop-2-enamide
CID 24988770
2-(4-cyclohexylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 1277920
2-(3-methoxy-4-nitrophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 48850427
2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36545646
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34964094
(E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide
CID 171368994
3-(4-fluorophenyl)-N'-[2-(4-methoxyphenoxy)acetyl]prop-2-enehydrazide
CID 4294808
2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 37004225
2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27893473

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide (CID 24988428) is (E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide is COc1cc(CNC(=O)COc2ccc(/C=C/C(=O)NO)cc2)cc(OC)c1OC.
What is the InChIKey of (E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide?
The InChIKey is LFSISQSDBLVLRN-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H24N2O7/c1-27-17-10-15(11-18(28-2)21(17)29-3)12-22-20(25)13-30-16-7-4-14(5-8-16)6-9-19(24)23-26/h4-11,26H,12-13H2,1-3H3,(H,22,25)(H,23,24)/b9-6+.
What are the key properties of (E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide has a molecular weight of 416.43 g/mol, XLogP of 1.93, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 24988428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).