N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide

C29H26N2O5 — CID 3944391

IUPACN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc(OC)c1O
InChIInChI=1S/C29H26N2O5/c1-34-26-16-21(17-27(35-2)28(26)32)18-30-31-29(33)23-14-12-20(13-15-23)19-36-25-11-7-6-10-24(25)22-8-4-3-5-9-22/h3-18,32H,19H2,1-2H3,(H,31,33)
InChIKeyBUEGMHURVZZNLZ-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.42
Rot. Bonds9

About N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide

N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide (PubChem CID 3944391) has the molecular formula C29H26N2O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
PubChem CID3944391
Molecular FormulaC29H26N2O5
Molecular Weight482.54 g/mol
Exact Mass482.18
IUPAC NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc(OC)c1O
InChIInChI=1S/C29H26N2O5/c1-34-26-16-21(17-27(35-2)28(26)32)18-30-31-29(33)23-14-12-20(13-15-23)19-36-25-11-7-6-10-24(25)22-8-4-3-5-9-22/h3-18,32H,19H2,1-2H3,(H,31,33)
InChIKeyBUEGMHURVZZNLZ-UHFFFAOYSA-N
XLogP5.42
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6904277
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 135607593
4-(aminomethyl)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 135691055
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 135551685
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135610830
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3,4,5-tris(phenylmethoxy)benzamide
CID 136899957
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 4613263
N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 137160378
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6903402
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 899702

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide (CID 3944391) is N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The canonical SMILES for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is COc1cc(C=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc(OC)c1O.
What is the InChIKey of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The InChIKey is BUEGMHURVZZNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5/c1-34-26-16-21(17-27(35-2)28(26)32)18-30-31-29(33)23-14-12-20(13-15-23)19-36-25-11-7-6-10-24(25)22-8-4-3-5-9-22/h3-18,32H,19H2,1-2H3,(H,31,33).
What are the key properties of N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide has a molecular weight of 482.54 g/mol, XLogP of 5.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is sourced from PubChem (CID 3944391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).