[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate

C27H22N2O4 — CID 6020754

IUPAC[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1ccc(/C=N\NC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H22N2O4/c1-19-6-2-5-9-25(19)27(31)33-23-13-10-20(11-14-23)17-28-29-26(30)18-32-24-15-12-21-7-3-4-8-22(21)16-24/h2-17H,18H2,1H3,(H,29,30)/b28-17-
InChIKeyRMKVLRCYELFSMH-QRQIAZFYSA-N
MW438.48 g/mol
LogP4.90
Rot. Bonds7

About [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate

[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate (PubChem CID 6020754) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate.

Molecular Properties

Compound Name[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
PubChem CID6020754
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC Name[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1ccc(/C=N\NC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H22N2O4/c1-19-6-2-5-9-25(19)27(31)33-23-13-10-20(11-14-23)17-28-29-26(30)18-32-24-15-12-21-7-3-4-8-22(21)16-24/h2-17H,18H2,1H3,(H,29,30)/b28-17-
InChIKeyRMKVLRCYELFSMH-QRQIAZFYSA-N
XLogP4.90
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.90
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4145700
[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4609649
[4-[(Z)-[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6258264
[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6047889
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3610097
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 19183113
[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 4073981
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
CID 6022391
[4-[(Z)-[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6014214

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate?
The IUPAC name of [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate (CID 6020754) is [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate.
What is the SMILES notation for [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate?
The canonical SMILES for [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate is Cc1ccccc1C(=O)Oc1ccc(/C=N\NC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate?
The InChIKey is RMKVLRCYELFSMH-QRQIAZFYSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-19-6-2-5-9-25(19)27(31)33-23-13-10-20(11-14-23)17-28-29-26(30)18-32-24-15-12-21-7-3-4-8-22(21)16-24/h2-17H,18H2,1H3,(H,29,30)/b28-17-.
What are the key properties of [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate?
[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate has a molecular weight of 438.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate is sourced from PubChem (CID 6020754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).