3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide

C26H22N2O2 — CID 96892720

IUPAC3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
SMILESCc1cccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)c1
InChIInChI=1S/C26H22N2O2/c1-19-8-6-12-21(16-19)26(29)28-27-17-22-10-3-5-15-25(22)30-18-23-13-7-11-20-9-2-4-14-24(20)23/h2-17H,18H2,1H3,(H,28,29)/b27-17+
InChIKeyCASGJQAEABTEKF-WPWMEQJKSA-N
MW394.47 g/mol
LogP5.49
Rot. Bonds6

About 3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide

3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide (PubChem CID 96892720) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
PubChem CID96892720
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
SMILESCc1cccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)c1
InChIInChI=1S/C26H22N2O2/c1-19-8-6-12-21(16-19)26(29)28-27-17-22-10-3-5-15-25(22)30-18-23-13-7-11-20-9-2-4-14-24(20)23/h2-17H,18H2,1H3,(H,28,29)/b27-17+
InChIKeyCASGJQAEABTEKF-WPWMEQJKSA-N
XLogP5.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methylbenzamide
CID 96885250
4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 94831763
3-methoxy-N-[[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 3522022
N-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126332827
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
N-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 133169709
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5416826
N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657836
4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110338654
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126330028
N-[[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 3755127
[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 1370223

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide (CID 96892720) is 3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide is Cc1cccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)c1.
What is the InChIKey of 3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is CASGJQAEABTEKF-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-19-8-6-12-21(16-19)26(29)28-27-17-22-10-3-5-15-25(22)30-18-23-13-7-11-20-9-2-4-14-24(20)23/h2-17H,18H2,1H3,(H,28,29)/b27-17+.
What are the key properties of 3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 394.47 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 96892720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).