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

C29H26N2O4 — CID 6904277

IUPACN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c1OC
InChIInChI=1S/C29H26N2O4/c1-33-27-14-8-11-24(28(27)34-2)19-30-31-29(32)23-17-15-21(16-18-23)20-35-26-13-7-6-12-25(26)22-9-4-3-5-10-22/h3-19H,20H2,1-2H3,(H,31,32)/b30-19+
InChIKeyPFTOVGRTFZKBRR-NDZAJKAJSA-N
MW466.54 g/mol
LogP5.71
Rot. Bonds9

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

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide (PubChem CID 6904277) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
PubChem CID6904277
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c1OC
InChIInChI=1S/C29H26N2O4/c1-33-27-14-8-11-24(28(27)34-2)19-30-31-29(32)23-17-15-21(16-18-23)20-35-26-13-7-6-12-25(26)22-9-4-3-5-10-22/h3-19H,20H2,1-2H3,(H,31,32)/b30-19+
InChIKeyPFTOVGRTFZKBRR-NDZAJKAJSA-N
XLogP5.71
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-dihydroxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 135607593
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3944391
4-amino-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110514932
4-[[2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126190416
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 5009535
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6903402
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 3750438
4-[[2-methoxy-6-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 126193155
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3336064
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide (CID 6904277) is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The canonical SMILES for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is COc1cccc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c1OC.
What is the InChIKey of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The InChIKey is PFTOVGRTFZKBRR-NDZAJKAJSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-33-27-14-8-11-24(28(27)34-2)19-30-31-29(32)23-17-15-21(16-18-23)20-35-26-13-7-6-12-25(26)22-9-4-3-5-10-22/h3-19H,20H2,1-2H3,(H,31,32)/b30-19+.
What are the key properties of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide has a molecular weight of 466.54 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is sourced from PubChem (CID 6904277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).