N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide

C22H23N3O — CID 6882997

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23N3O/c1-3-25(4-2)21-13-9-17(10-14-21)16-23-24-22(26)20-12-11-18-7-5-6-8-19(18)15-20/h5-16H,3-4H2,1-2H3,(H,24,26)/b23-16+
InChIKeyZCICQOSMBZFJCG-XQNSMLJCSA-N
MW345.45 g/mol
LogP4.45
Rot. Bonds6

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide (PubChem CID 6882997) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
PubChem CID6882997
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23N3O/c1-3-25(4-2)21-13-9-17(10-14-21)16-23-24-22(26)20-12-11-18-7-5-6-8-19(18)15-20/h5-16H,3-4H2,1-2H3,(H,24,26)/b23-16+
InChIKeyZCICQOSMBZFJCG-XQNSMLJCSA-N
XLogP4.45
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.45
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)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide
CID 164880554
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-methoxybenzamide
CID 6027249
N-[[4-(diethylamino)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2592801
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 2330939
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
CID 6180854
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide (CID 6882997) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide?
The InChIKey is ZCICQOSMBZFJCG-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-25(4-2)21-13-9-17(10-14-21)16-23-24-22(26)20-12-11-18-7-5-6-8-19(18)15-20/h5-16H,3-4H2,1-2H3,(H,24,26)/b23-16+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6882997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).