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

C21H23NO6 — CID 130205526

IUPAC(E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1/C=C/C(=O)NO
InChIInChI=1S/C21H23NO6/c1-13(15-11-18(26-3)21(28-5)19(12-15)27-4)17-8-7-16(25-2)10-14(17)6-9-20(23)22-24/h6-12,24H,1H2,2-5H3,(H,22,23)/b9-6+
InChIKeyQIATVBMDIPTKHN-RMKNXTFCSA-N
MW385.42 g/mol
LogP3.30
Rot. Bonds8

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

(E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (PubChem CID 130205526) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
PubChem CID130205526
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name(E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1/C=C/C(=O)NO
InChIInChI=1S/C21H23NO6/c1-13(15-11-18(26-3)21(28-5)19(12-15)27-4)17-8-7-16(25-2)10-14(17)6-9-20(23)22-24/h6-12,24H,1H2,2-5H3,(H,22,23)/b9-6+
InChIKeyQIATVBMDIPTKHN-RMKNXTFCSA-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-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 130205516
N-hydroxy-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 175984016
4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 7948325
(E)-N-hydroxy-3-[4-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]phenyl]prop-2-enamide
CID 24988428
(E)-3-[5-[2-cyano-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]-2-methoxyphenyl]-N-hydroxyprop-2-enamide
CID 175692574
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
(1E,4E)-1-(2-hydroxy-5-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
CID 118731497
N-hydroxy-3-[2-(3-methoxyphenoxy)phenyl]prop-2-enamide
CID 78137677
(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 135360201
(E)-N-hydroxy-3-(4-methoxy-2-naphthalen-2-ylphenyl)prop-2-enamide
CID 146207373

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (CID 130205526) is (E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)cc1/C=C/C(=O)NO.
What is the InChIKey of (E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The InChIKey is QIATVBMDIPTKHN-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H23NO6/c1-13(15-11-18(26-3)21(28-5)19(12-15)27-4)17-8-7-16(25-2)10-14(17)6-9-20(23)22-24/h6-12,24H,1H2,2-5H3,(H,22,23)/b9-6+.
What are the key properties of (E)-N-hydroxy-3-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[5-methoxy-2-[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-[5-methoxy-2-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 130205526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).