2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate

C22H19N2O4- — CID 7308684

IUPAC2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCOc1ccc(C(=NNc2ccccc2C(=O)[O-])c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H20N2O4/c1-27-17-11-7-15(8-12-17)21(16-9-13-18(28-2)14-10-16)24-23-20-6-4-3-5-19(20)22(25)26/h3-14,23H,1-2H3,(H,25,26)/p-1
InChIKeyUCMMLUOVWVNVDJ-UHFFFAOYSA-M
MW375.40 g/mol
LogP2.93
Rot. Bonds7

About 2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate

2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate (PubChem CID 7308684) has the molecular formula C22H19N2O4- and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
PubChem CID7308684
Molecular FormulaC22H19N2O4-
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCOc1ccc(C(=NNc2ccccc2C(=O)[O-])c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H20N2O4/c1-27-17-11-7-15(8-12-17)21(16-9-13-18(28-2)14-10-16)24-23-20-6-4-3-5-19(20)22(25)26/h3-14,23H,1-2H3,(H,25,26)/p-1
InChIKeyUCMMLUOVWVNVDJ-UHFFFAOYSA-M
XLogP2.93
TPSA82.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[[2-(4-methoxybenzoyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341142
2-[(4-methoxyphenyl)methylamino]benzoate
CID 3280708
2-(3-methoxyanilino)benzoate
CID 6943552
N-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 71673973
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 2836812
N-[[(4-bromophenyl)-phenylmethylidene]amino]-4-methoxybenzamide
CID 2288457
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid
CID 102378800
2-[(3-methoxybenzoyl)carbamothioylamino]benzoate
CID 6945257
3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate
CID 4176095

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate (CID 7308684) is 2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate is COc1ccc(C(=NNc2ccccc2C(=O)[O-])c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate?
The InChIKey is UCMMLUOVWVNVDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20N2O4/c1-27-17-11-7-15(8-12-17)21(16-9-13-18(28-2)14-10-16)24-23-20-6-4-3-5-19(20)22(25)26/h3-14,23H,1-2H3,(H,25,26)/p-1.
What are the key properties of 2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate?
2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate has a molecular weight of 375.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(4-methoxyphenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7308684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).