N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide

C26H27NO7 — CID 175347350

IUPACN-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide
SMILESCOc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C26H27NO7/c1-30-21-12-9-17(5-6-19-14-23(31-2)25(33-4)24(15-19)32-3)13-22(21)34-16-18-7-10-20(11-8-18)26(28)27-29/h5-15,29H,16H2,1-4H3,(H,27,28)
InChIKeyPUUOAXFQIHTMNS-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.59
Rot. Bonds10

About N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide

N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide (PubChem CID 175347350) has the molecular formula C26H27NO7 and a molecular weight of 465.50 g/mol. Its IUPAC name is N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide
PubChem CID175347350
Molecular FormulaC26H27NO7
Molecular Weight465.50 g/mol
Exact Mass465.18
IUPAC NameN-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide
SMILESCOc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C26H27NO7/c1-30-21-12-9-17(5-6-19-14-23(31-2)25(33-4)24(15-19)32-3)13-22(21)34-16-18-7-10-20(11-8-18)26(28)27-29/h5-15,29H,16H2,1-4H3,(H,27,28)
InChIKeyPUUOAXFQIHTMNS-UHFFFAOYSA-N
XLogP4.59
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(4-chlorophenyl)phenyl]methoxy]-N-hydroxy-4-methoxybenzamide
CID 155530092
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
tris[[3,5-bis[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methoxy]phenyl]methyl] benzene-1,3,5-tricarboxylate
CID 102253111
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]but-3-en-2-one
CID 165351564
N-hydroxy-2-[4-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phenyl]-2-methylpropanamide
CID 164610867
(E)-3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]prop-2-enamide
CID 91685648
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 6031125
methyl 2-[2-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-2-oxoethoxy]acetate
CID 20742908

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide (CID 175347350) is N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide is COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide?
The InChIKey is PUUOAXFQIHTMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO7/c1-30-21-12-9-17(5-6-19-14-23(31-2)25(33-4)24(15-19)32-3)13-22(21)34-16-18-7-10-20(11-8-18)26(28)27-29/h5-15,29H,16H2,1-4H3,(H,27,28).
What are the key properties of N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide?
N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide has a molecular weight of 465.50 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]benzamide is sourced from PubChem (CID 175347350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).