2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

C32H26N4O4 — CID 3274359

IUPAC2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
SMILESO=C(COc1cccc2ccccc12)NN=Cc1ccc(C=NNC(=O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C32H26N4O4/c37-31(21-39-29-13-5-9-25-7-1-3-11-27(25)29)35-33-19-23-15-17-24(18-16-23)20-34-36-32(38)22-40-30-14-6-10-26-8-2-4-12-28(26)30/h1-20H,21-22H2,(H,35,37)(H,36,38)
InChIKeyPACNLIUWJVIVAB-UHFFFAOYSA-N
MW530.58 g/mol
LogP5.05
Rot. Bonds10

About 2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide (PubChem CID 3274359) has the molecular formula C32H26N4O4 and a molecular weight of 530.58 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
PubChem CID3274359
Molecular FormulaC32H26N4O4
Molecular Weight530.58 g/mol
Exact Mass530.20
IUPAC Name2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
SMILESO=C(COc1cccc2ccccc12)NN=Cc1ccc(C=NNC(=O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C32H26N4O4/c37-31(21-39-29-13-5-9-25-7-1-3-11-27(25)29)35-33-19-23-15-17-24(18-16-23)20-34-36-32(38)22-40-30-14-6-10-26-8-2-4-12-28(26)30/h1-20H,21-22H2,(H,35,37)(H,36,38)
InChIKeyPACNLIUWJVIVAB-UHFFFAOYSA-N
XLogP5.05
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 55.05
H-Bond Donors ≤ 52
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

4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid
CID 958505
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 773201
2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide
CID 957194
[4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6036518
2-naphthalen-1-yloxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5146586
2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide
CID 3763934
N-(cinnamylideneamino)-2-naphthalen-1-yloxyacetamide
CID 3883435
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
N-(benzylideneamino)-2-(2-hydroxyphenoxy)acetamide
CID 2308885
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 126382769
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50855546
[4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 6248961

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide (CID 3274359) is 2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is O=C(COc1cccc2ccccc12)NN=Cc1ccc(C=NNC(=O)COc2cccc3ccccc23)cc1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
The InChIKey is PACNLIUWJVIVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O4/c37-31(21-39-29-13-5-9-25-7-1-3-11-27(25)29)35-33-19-23-15-17-24(18-16-23)20-34-36-32(38)22-40-30-14-6-10-26-8-2-4-12-28(26)30/h1-20H,21-22H2,(H,35,37)(H,36,38).
What are the key properties of 2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide has a molecular weight of 530.58 g/mol, XLogP of 5.05, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 3274359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).