[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate

C21H20N2O4 — CID 5348508

IUPAC[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate
SMILESCOc1ccc(C/C(N)=N/OC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O4/c1-25-18-9-6-15(7-10-18)12-20(22)23-27-21(24)14-26-19-11-8-16-4-2-3-5-17(16)13-19/h2-11,13H,12,14H2,1H3,(H2,22,23)
InChIKeyWEQOWZJOPJWIDC-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.29
Rot. Bonds7

About [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate

[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate (PubChem CID 5348508) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate
PubChem CID5348508
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate
SMILESCOc1ccc(C/C(N)=N/OC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O4/c1-25-18-9-6-15(7-10-18)12-20(22)23-27-21(24)14-26-19-11-8-16-4-2-3-5-17(16)13-19/h2-11,13H,12,14H2,1H3,(H2,22,23)
InChIKeyWEQOWZJOPJWIDC-UHFFFAOYSA-N
XLogP3.29
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate
CID 4994307
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348667
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
CID 91972727
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2096449
[(E)-(1-amino-2-phenylethylidene)amino] propanoate
CID 100802192
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 8821392
2-hydroxyethyl 2-naphthalen-2-yloxyacetate
CID 21297754
naphthalen-2-yl 2-(2-methoxyphenoxy)acetate
CID 7926826
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
[[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885591

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate (CID 5348508) is [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate is COc1ccc(C/C(N)=N/OC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate?
The InChIKey is WEQOWZJOPJWIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-18-9-6-15(7-10-18)12-20(22)23-27-21(24)14-26-19-11-8-16-4-2-3-5-17(16)13-19/h2-11,13H,12,14H2,1H3,(H2,22,23).
What are the key properties of [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate?
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate has a molecular weight of 364.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 5348508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).