N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide

C27H21N3O2 — CID 19061178

IUPACN-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12
InChIInChI=1S/C27H21N3O2/c1-19-8-2-6-12-23(19)27(31)30-29-17-25-24-13-7-5-9-20(24)14-15-26(25)32-18-22-11-4-3-10-21(22)16-28/h2-15,17H,18H2,1H3,(H,30,31)/b29-17+
InChIKeyJKSIQQZVGVZCES-STBIYBPSSA-N
MW419.48 g/mol
LogP5.36
Rot. Bonds6

About N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide

N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide (PubChem CID 19061178) has the molecular formula C27H21N3O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
PubChem CID19061178
Molecular FormulaC27H21N3O2
Molecular Weight419.48 g/mol
Exact Mass419.16
IUPAC NameN-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12
InChIInChI=1S/C27H21N3O2/c1-19-8-2-6-12-23(19)27(31)30-29-17-25-24-13-7-5-9-20(24)14-15-26(25)32-18-22-11-4-3-10-21(22)16-28/h2-15,17H,18H2,1H3,(H,30,31)/b29-17+
InChIKeyJKSIQQZVGVZCES-STBIYBPSSA-N
XLogP5.36
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.36
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

N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6138625
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061174
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126223223
5,7-dibromo-N-[(Z)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 21376301
2-[[1-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]naphthalen-2-yl]oxymethyl]benzonitrile
CID 17246062
2-[[1-[(Z)-(1,1,2,2,3,3,3-heptafluoropropylhydrazinylidene)methyl]naphthalen-2-yl]oxymethyl]benzonitrile
CID 126048508
2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 29147312
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9359476
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239
2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 19657881
N-[(Z)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126045670

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide (CID 19061178) is N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide is Cc1ccccc1C(=O)N/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12.
What is the InChIKey of N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide?
The InChIKey is JKSIQQZVGVZCES-STBIYBPSSA-N. The full InChI is InChI=1S/C27H21N3O2/c1-19-8-2-6-12-23(19)27(31)30-29-17-25-24-13-7-5-9-20(24)14-15-26(25)32-18-22-11-4-3-10-21(22)16-28/h2-15,17H,18H2,1H3,(H,30,31)/b29-17+.
What are the key properties of N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide?
N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide has a molecular weight of 419.48 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 19061178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).