[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate

C33H26N2O5 — CID 3481729

IUPAC[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C33H26N2O5/c36-32(23-39-28-19-17-27(18-20-28)38-22-25-7-2-1-3-8-25)35-34-21-24-13-15-29(16-14-24)40-33(37)31-12-6-10-26-9-4-5-11-30(26)31/h1-21H,22-23H2,(H,35,36)
InChIKeyKYDSYVLGCWCDEQ-UHFFFAOYSA-N
MW530.58 g/mol
LogP6.17
Rot. Bonds10

About [4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate

[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate (PubChem CID 3481729) has the molecular formula C33H26N2O5 and a molecular weight of 530.58 g/mol. Its IUPAC name is [4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
PubChem CID3481729
Molecular FormulaC33H26N2O5
Molecular Weight530.58 g/mol
Exact Mass530.18
IUPAC Name[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C33H26N2O5/c36-32(23-39-28-19-17-27(18-20-28)38-22-25-7-2-1-3-8-25)35-34-21-24-13-15-29(16-14-24)40-33(37)31-12-6-10-26-9-4-5-11-30(26)31/h1-21H,22-23H2,(H,35,36)
InChIKeyKYDSYVLGCWCDEQ-UHFFFAOYSA-N
XLogP6.17
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 56.17
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(Z)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6086034
[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 4609649
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3688388
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
[4-[[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3499826
[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3592556
[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 4090058
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
[4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6036518
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6271641

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
The IUPAC name of [4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate (CID 3481729) is [4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate.
What is the SMILES notation for [4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
The canonical SMILES for [4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is O=C(COc1ccc(OCc2ccccc2)cc1)NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of [4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
The InChIKey is KYDSYVLGCWCDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2O5/c36-32(23-39-28-19-17-27(18-20-28)38-22-25-7-2-1-3-8-25)35-34-21-24-13-15-29(16-14-24)40-33(37)31-12-6-10-26-9-4-5-11-30(26)31/h1-21H,22-23H2,(H,35,36).
What are the key properties of [4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate?
[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate has a molecular weight of 530.58 g/mol, XLogP of 6.17, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is sourced from PubChem (CID 3481729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).