(E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide

C21H23NO6 — CID 130205516

IUPAC(E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
SMILESC=C(c1ccc(OC)c(/C=C/C(=O)NO)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H23NO6/c1-13(16-11-18(26-3)21(28-5)19(12-16)27-4)14-6-8-17(25-2)15(10-14)7-9-20(23)22-24/h6-12,24H,1H2,2-5H3,(H,22,23)/b9-7+
InChIKeyYYPHEUCEVKWVAC-VQHVLOKHSA-N
MW385.42 g/mol
LogP3.30
Rot. Bonds8

About (E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (PubChem CID 130205516) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
PubChem CID130205516
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name(E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
SMILESC=C(c1ccc(OC)c(/C=C/C(=O)NO)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H23NO6/c1-13(16-11-18(26-3)21(28-5)19(12-16)27-4)14-6-8-17(25-2)15(10-14)7-9-20(23)22-24/h6-12,24H,1H2,2-5H3,(H,22,23)/b9-7+
InChIKeyYYPHEUCEVKWVAC-VQHVLOKHSA-N
XLogP3.30
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
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-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 130205526
N-hydroxy-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 175984016
(E)-3-[5-[2-cyano-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]-2-methoxyphenyl]-N-hydroxyprop-2-enamide
CID 175692574
(E)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 155806632
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-N-hydroxy-3-[5-[1-(3-methoxy-4,5-dimethylphenyl)ethenyl]-1H-indol-2-yl]prop-2-enamide
CID 161251929
(E)-3-(2-methoxy-5-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 9483464
4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 89122708
(E)-3-(5-bromo-2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 55709602
N-hydroxy-3-[5-[2-nitro-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]-2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 175546324
N-hydroxy-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine-2-carboxamide
CID 130227383
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (CID 130205516) is (E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is C=C(c1ccc(OC)c(/C=C/C(=O)NO)c1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The InChIKey is YYPHEUCEVKWVAC-VQHVLOKHSA-N. The full InChI is InChI=1S/C21H23NO6/c1-13(16-11-18(26-3)21(28-5)19(12-16)27-4)14-6-8-17(25-2)15(10-14)7-9-20(23)22-24/h6-12,24H,1H2,2-5H3,(H,22,23)/b9-7+.
What are the key properties of (E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide has a molecular weight of 385.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 130205516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).