3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide

C21H20N2O2 — CID 5222816

IUPAC3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESCc1cc(C)c(C=NNC(=O)c2cc3ccccc3cc2O)c(C)c1
InChIInChI=1S/C21H20N2O2/c1-13-8-14(2)19(15(3)9-13)12-22-23-21(25)18-10-16-6-4-5-7-17(16)11-20(18)24/h4-12,24H,1-3H3,(H,23,25)
InChIKeyXHRVQGCRACOOHE-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.23
Rot. Bonds3

About 3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 5222816) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID5222816
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESCc1cc(C)c(C=NNC(=O)c2cc3ccccc3cc2O)c(C)c1
InChIInChI=1S/C21H20N2O2/c1-13-8-14(2)19(15(3)9-13)12-22-23-21(25)18-10-16-6-4-5-7-17(16)11-20(18)24/h4-12,24H,1-3H3,(H,23,25)
InChIKeyXHRVQGCRACOOHE-UHFFFAOYSA-N
XLogP4.23
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135765556
N-[(3,5-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6736315
methyl 2-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 9212359
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
3-hydroxy-N-[(4-methyl-3-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3883204
2,6-dihydroxy-N-[(2-hydroxy-4,6-dimethylphenyl)methylideneamino]benzamide
CID 152758745
3-hydroxy-N-[(Z)-(5-methyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 50856860
N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 45109193

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide (CID 5222816) is 3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide is Cc1cc(C)c(C=NNC(=O)c2cc3ccccc3cc2O)c(C)c1.
What is the InChIKey of 3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is XHRVQGCRACOOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-13-8-14(2)19(15(3)9-13)12-22-23-21(25)18-10-16-6-4-5-7-17(16)11-20(18)24/h4-12,24H,1-3H3,(H,23,25).
What are the key properties of 3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2,4,6-trimethylphenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 5222816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).