3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide

C26H22N2O3 — CID 6070681

IUPAC3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1ccccc1OCc1ccccc1
InChIInChI=1S/C26H22N2O3/c1-30-25-16-21-12-6-5-11-20(21)15-23(25)26(29)28-27-17-22-13-7-8-14-24(22)31-18-19-9-3-2-4-10-19/h2-17H,18H2,1H3,(H,28,29)/b27-17-
InChIKeyXUTIKGLDWSHPAC-PKAZHMFMSA-N
MW410.47 g/mol
LogP5.19
Rot. Bonds7

About 3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide

3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 6070681) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID6070681
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1ccccc1OCc1ccccc1
InChIInChI=1S/C26H22N2O3/c1-30-25-16-21-12-6-5-11-20(21)15-23(25)26(29)28-27-17-22-13-7-8-14-24(22)31-18-19-9-3-2-4-10-19/h2-17H,18H2,1H3,(H,28,29)/b27-17-
InChIKeyXUTIKGLDWSHPAC-PKAZHMFMSA-N
XLogP5.19
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4562741
3-methoxy-N-[[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 3522022
3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5173302
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376563
N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 4684451
3-ethoxy-4-methoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126322287
N-[(2-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 2306154
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide (CID 6070681) is 3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N/N=C\c1ccccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is XUTIKGLDWSHPAC-PKAZHMFMSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-30-25-16-21-12-6-5-11-20(21)15-23(25)26(29)28-27-17-22-13-7-8-14-24(22)31-18-19-9-3-2-4-10-19/h2-17H,18H2,1H3,(H,28,29)/b27-17-.
What are the key properties of 3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6070681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).