N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide

C22H23N3O — CID 6180854

IUPACN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H23N3O/c1-3-25(4-2)19-14-12-17(13-15-19)16-23-24-22(26)21-11-7-9-18-8-5-6-10-20(18)21/h5-16H,3-4H2,1-2H3,(H,24,26)/b23-16-
InChIKeyVZZNHCDLWRITJL-KQWNVCNZSA-N
MW345.45 g/mol
LogP4.45
Rot. Bonds6

About N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide (PubChem CID 6180854) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
PubChem CID6180854
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H23N3O/c1-3-25(4-2)19-14-12-17(13-15-19)16-23-24-22(26)21-11-7-9-18-8-5-6-10-20(18)21/h5-16H,3-4H2,1-2H3,(H,24,26)/b23-16-
InChIKeyVZZNHCDLWRITJL-KQWNVCNZSA-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-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 4249042
N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
CID 1377406
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide
CID 6110691
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5413783
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 7912856
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
2-chloro-N-[2-[2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3943477

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide (CID 6180854) is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide is CCN(CC)c1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide?
The InChIKey is VZZNHCDLWRITJL-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H23N3O/c1-3-25(4-2)19-14-12-17(13-15-19)16-23-24-22(26)21-11-7-9-18-8-5-6-10-20(18)21/h5-16H,3-4H2,1-2H3,(H,24,26)/b23-16-.
What are the key properties of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide?
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-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-[(Z)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 6180854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).