[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate

C19H15NO3 — CID 101383681

IUPAC[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O/N=C\c2cccc3ccccc23)cc1
InChIInChI=1S/C19H15NO3/c1-22-17-11-9-15(10-12-17)19(21)23-20-13-16-7-4-6-14-5-2-3-8-18(14)16/h2-13H,1H3/b20-13-
InChIKeyKWZDAXUECWPYCP-MOSHPQCFSA-N
MW305.33 g/mol
LogP4.04
Rot. Bonds4

About [(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate

[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate (PubChem CID 101383681) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is [(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate.

Molecular Properties

Compound Name[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate
PubChem CID101383681
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O/N=C\c2cccc3ccccc23)cc1
InChIInChI=1S/C19H15NO3/c1-22-17-11-9-15(10-12-17)19(21)23-20-13-16-7-4-6-14-5-2-3-8-18(14)16/h2-13H,1H3/b20-13-
InChIKeyKWZDAXUECWPYCP-MOSHPQCFSA-N
XLogP4.04
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.04
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

[(Z)-naphthalen-1-ylmethylideneamino] acetate
CID 100995870
[(E)-benzylideneamino] 4-methoxybenzoate
CID 10634747
ethane;[(E)-(4-hydroxyphenyl)methylideneamino] 4-methoxybenzoate
CID 143594919
[(E)-(2-hydroxyphenyl)methylideneamino] benzoate
CID 135684142
2-[(4-methoxybenzoyl)amino]-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 4997386
2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
CID 78953890
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
bis[(E)-(2-hydroxyphenyl)methylideneamino] benzene-1,3-dicarboxylate
CID 177444006
N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5244598
ethyl 4-[(E)-3-naphthalen-1-ylprop-2-enoyl]oxybenzoate
CID 6234523
(1-phenylpent-1-en-3-ylideneamino) 4-methoxybenzoate
CID 770356
[(Z)-[(E)-1-phenylpent-1-en-3-ylidene]amino] 4-methoxybenzoate
CID 6339517

Frequently Asked Questions

What is the IUPAC name of [(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate?
The IUPAC name of [(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate (CID 101383681) is [(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate.
What is the SMILES notation for [(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate?
The canonical SMILES for [(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate is COc1ccc(C(=O)O/N=C\c2cccc3ccccc23)cc1.
What is the InChIKey of [(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate?
The InChIKey is KWZDAXUECWPYCP-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H15NO3/c1-22-17-11-9-15(10-12-17)19(21)23-20-13-16-7-4-6-14-5-2-3-8-18(14)16/h2-13H,1H3/b20-13-.
What are the key properties of [(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate?
[(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate has a molecular weight of 305.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-naphthalen-1-ylmethylideneamino] 4-methoxybenzoate is sourced from PubChem (CID 101383681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).