[1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate

C15H15NO3 — CID 59148511

IUPAC[1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate
SMILESCOc1ccc(C(C)=NOC(C)=O)c2ccccc12
InChIInChI=1S/C15H15NO3/c1-10(16-19-11(2)17)12-8-9-15(18-3)14-7-5-4-6-13(12)14/h4-9H,1-3H3
InChIKeyWSLUJBCQDJMIDU-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.14
Rot. Bonds3

About [1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate

[1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate (PubChem CID 59148511) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is [1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate.

Molecular Properties

Compound Name[1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate
PubChem CID59148511
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name[1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate
SMILESCOc1ccc(C(C)=NOC(C)=O)c2ccccc12
InChIInChI=1S/C15H15NO3/c1-10(16-19-11(2)17)12-8-9-15(18-3)14-7-5-4-6-13(12)14/h4-9H,1-3H3
InChIKeyWSLUJBCQDJMIDU-UHFFFAOYSA-N
XLogP3.14
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
CID 91102040
1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
CID 147751459
(4-methoxynaphthalen-1-yl)-(1-methylcyclohexyl)methanone
CID 106826561
[(E)-1-phenylethylideneamino] acetate
CID 5392489
[4-(4-methoxynaphthalen-1-yl)-4-oxobutan-2-yl]-methylsulfanium
CID 149125335
methyl (E)-4-(4-methoxynaphthalen-1-yl)-4-oxobut-2-enoate
CID 82550322
4-(4-methoxynaphthalen-1-yl)-2,2,3,3-tetramethyl-4-oxobutanoic acid
CID 18323583
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone
CID 43340021
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid
CID 61328364
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 41470143

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate?
The IUPAC name of [1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate (CID 59148511) is [1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate.
What is the SMILES notation for [1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate?
The canonical SMILES for [1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate is COc1ccc(C(C)=NOC(C)=O)c2ccccc12.
What is the InChIKey of [1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate?
The InChIKey is WSLUJBCQDJMIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10(16-19-11(2)17)12-8-9-15(18-3)14-7-5-4-6-13(12)14/h4-9H,1-3H3.
What are the key properties of [1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate?
[1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate has a molecular weight of 257.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxynaphthalen-1-yl)ethylideneamino] acetate is sourced from PubChem (CID 59148511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).