N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C22H23N3O2 — CID 6870011

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C22H23N3O2/c1-3-25(4-2)19-11-9-16(10-12-19)15-23-24-22(27)20-13-17-7-5-6-8-18(17)14-21(20)26/h5-15,26H,3-4H2,1-2H3,(H,24,27)/b23-15+
InChIKeyWFOKZRZBRNDJTI-HZHRSRAPSA-N
MW361.45 g/mol
LogP4.16
Rot. Bonds6

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 6870011) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID6870011
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C22H23N3O2/c1-3-25(4-2)19-11-9-16(10-12-19)15-23-24-22(27)20-13-17-7-5-6-8-18(17)14-21(20)26/h5-15,26H,3-4H2,1-2H3,(H,24,27)/b23-15+
InChIKeyWFOKZRZBRNDJTI-HZHRSRAPSA-N
XLogP4.16
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

C.I. 37505
CID 66719
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-
CID 67273
3-Hydroxy-4'-methyl-2-naphthanilide
CID 77215
n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone
CID 135458654
2-Naphthalenecarboxamide, N-(2,4-dimethylphenyl)-3-hydroxy-
CID 66717
2-Naphthalenecarboxamide, N-[2-[2-(acetylamino)phenyl]ethyl]-1-hydroxy-
CID 21325
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
2-Naphthalenecarboxamide, N-(2-ethylphenyl)-3-hydroxy-
CID 111744
3-hydroxy-N-[(4-morpholin-4-ylphenyl)methylideneamino]naphthalene-2-carboxamide
CID 2343764
3-Hydroxy-naphthalene-2-carboxylic acid (1-methyl-1H-pyrrol-2-ylmethylene)-hydrazide
CID 9556583
1-(4-Ethylphenyl)-3-[(1-hydroxy-2-naphthoyl)amino]urea
CID 24819049

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 6870011) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is WFOKZRZBRNDJTI-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-25(4-2)19-11-9-16(10-12-19)15-23-24-22(27)20-13-17-7-5-6-8-18(17)14-21(20)26/h5-15,26H,3-4H2,1-2H3,(H,24,27)/b23-15+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 6870011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).