[1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate

C31H24N2O4 — CID 4152788

IUPAC[1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C31H24N2O4/c1-21(36-26-17-15-22-9-5-6-13-25(22)19-26)30(34)33-32-20-28-27-14-8-7-10-23(27)16-18-29(28)37-31(35)24-11-3-2-4-12-24/h2-21H,1H3,(H,33,34)
InChIKeyGKVKPDLFYIQBOS-UHFFFAOYSA-N
MW488.54 g/mol
LogP6.13
Rot. Bonds7

About [1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate

[1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate (PubChem CID 4152788) has the molecular formula C31H24N2O4 and a molecular weight of 488.54 g/mol. Its IUPAC name is [1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
PubChem CID4152788
Molecular FormulaC31H24N2O4
Molecular Weight488.54 g/mol
Exact Mass488.17
IUPAC Name[1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C31H24N2O4/c1-21(36-26-17-15-22-9-5-6-13-25(22)19-26)30(34)33-32-20-28-27-14-8-7-10-23(27)16-18-29(28)37-31(35)24-11-3-2-4-12-24/h2-21H,1H3,(H,33,34)
InChIKeyGKVKPDLFYIQBOS-UHFFFAOYSA-N
XLogP6.13
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 56.13
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'}

Analyze [1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
CID 4077336
[1-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 45055239
[1-[(E)-(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 51060348
[4-bromo-2-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 4175699
[1-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 51060167
[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 3442368
[1-[[2-(3-chlorophenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 3636885
[3-(4-chlorobenzoyl)oxy-4-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3584872
[4-bromo-2-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3592949
[1-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 4691929
[1-[[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 3557249
[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341

Frequently Asked Questions

What is the IUPAC name of [1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
The IUPAC name of [1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate (CID 4152788) is [1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate.
What is the SMILES notation for [1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
The canonical SMILES for [1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate is CC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12.
What is the InChIKey of [1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
The InChIKey is GKVKPDLFYIQBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O4/c1-21(36-26-17-15-22-9-5-6-13-25(22)19-26)30(34)33-32-20-28-27-14-8-7-10-23(27)16-18-29(28)37-31(35)24-11-3-2-4-12-24/h2-21H,1H3,(H,33,34).
What are the key properties of [1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate?
[1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate has a molecular weight of 488.54 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate is sourced from PubChem (CID 4152788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).