4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate

C23H21N2O5- — CID 7741451

IUPAC4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate
SMILESCOc1cccc(OCc2cc(/C=N\Nc3ccc(C(=O)[O-])cc3)ccc2OC)c1
InChIInChI=1S/C23H22N2O5/c1-28-20-4-3-5-21(13-20)30-15-18-12-16(6-11-22(18)29-2)14-24-25-19-9-7-17(8-10-19)23(26)27/h3-14,25H,15H2,1-2H3,(H,26,27)/p-1/b24-14-
InChIKeyXAVIKIBYDAOWPO-OYKKKHCWSA-M
MW405.43 g/mol
LogP3.09
Rot. Bonds9

About 4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate

4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate (PubChem CID 7741451) has the molecular formula C23H21N2O5- and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate
PubChem CID7741451
Molecular FormulaC23H21N2O5-
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate
SMILESCOc1cccc(OCc2cc(/C=N\Nc3ccc(C(=O)[O-])cc3)ccc2OC)c1
InChIInChI=1S/C23H22N2O5/c1-28-20-4-3-5-21(13-20)30-15-18-12-16(6-11-22(18)29-2)14-24-25-19-9-7-17(8-10-19)23(26)27/h3-14,25H,15H2,1-2H3,(H,26,27)/p-1/b24-14-
InChIKeyXAVIKIBYDAOWPO-OYKKKHCWSA-M
XLogP3.09
TPSA92.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7824518
4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide
CID 28776247
N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
CID 169382404
N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 805851
N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
CID 5348595
N-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 4051654
N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline
CID 169382362
4-[(2Z)-2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 9013303
2-bromo-N-[(E)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 39818748
2-[(2E)-2-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 19578665
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
CID 169383589
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 25252437

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate (CID 7741451) is 4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate is COc1cccc(OCc2cc(/C=N\Nc3ccc(C(=O)[O-])cc3)ccc2OC)c1.
What is the InChIKey of 4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate?
The InChIKey is XAVIKIBYDAOWPO-OYKKKHCWSA-M. The full InChI is InChI=1S/C23H22N2O5/c1-28-20-4-3-5-21(13-20)30-15-18-12-16(6-11-22(18)29-2)14-24-25-19-9-7-17(8-10-19)23(26)27/h3-14,25H,15H2,1-2H3,(H,26,27)/p-1/b24-14-.
What are the key properties of 4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate?
4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate has a molecular weight of 405.43 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7741451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).