[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate

C19H19NO4 — CID 5394094

IUPAC[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate
SMILESCOc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccccc1OC
InChIInChI=1S/C19H19NO4/c1-22-14-10-11-15-13(12-14)6-5-8-17(15)20-24-19(21)16-7-3-4-9-18(16)23-2/h3-4,7,9-12H,5-6,8H2,1-2H3/b20-17+
InChIKeyJJTMKAVMZRVHFW-LVZFUZTISA-N
MW325.36 g/mol
LogP3.60
Rot. Bonds4

About [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate

[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate (PubChem CID 5394094) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate.

Molecular Properties

Compound Name[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate
PubChem CID5394094
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate
SMILESCOc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccccc1OC
InChIInChI=1S/C19H19NO4/c1-22-14-10-11-15-13(12-14)6-5-8-17(15)20-24-19(21)16-7-3-4-9-18(16)23-2/h3-4,7,9-12H,5-6,8H2,1-2H3/b20-17+
InChIKeyJJTMKAVMZRVHFW-LVZFUZTISA-N
XLogP3.60
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate?
The IUPAC name of [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate (CID 5394094) is [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate.
What is the SMILES notation for [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate?
The canonical SMILES for [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate is COc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccccc1OC.
What is the InChIKey of [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate?
The InChIKey is JJTMKAVMZRVHFW-LVZFUZTISA-N. The full InChI is InChI=1S/C19H19NO4/c1-22-14-10-11-15-13(12-14)6-5-8-17(15)20-24-19(21)16-7-3-4-9-18(16)23-2/h3-4,7,9-12H,5-6,8H2,1-2H3/b20-17+.
What are the key properties of [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate?
[(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate has a molecular weight of 325.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-methoxybenzoate is sourced from PubChem (CID 5394094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).