3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide

C21H20N2O3 — CID 6027421

IUPAC3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESCCCOc1ccc(/C=N\NC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C21H20N2O3/c1-2-11-26-18-9-7-15(8-10-18)14-22-23-21(25)19-12-16-5-3-4-6-17(16)13-20(19)24/h3-10,12-14,24H,2,11H2,1H3,(H,23,25)/b22-14-
InChIKeyJKUNUZLTGRFSNI-HMAPJEAMSA-N
MW348.40 g/mol
LogP4.10
Rot. Bonds6

About 3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 6027421) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID6027421
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESCCCOc1ccc(/C=N\NC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C21H20N2O3/c1-2-11-26-18-9-7-15(8-10-18)14-22-23-21(25)19-12-16-5-3-4-6-17(16)13-20(19)24/h3-10,12-14,24H,2,11H2,1H3,(H,23,25)/b22-14-
InChIKeyJKUNUZLTGRFSNI-HMAPJEAMSA-N
XLogP4.10
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-hydroxy-N-[(E)-[4-(3-methylbutoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6902774
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
3-hydroxy-N-[(4-prop-2-ynoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 4664333
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3857538
tert-butyl 2-[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3791292
N-(benzylideneamino)-3-hydroxynaphthalene-2-carboxamide
CID 689876
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4675447
3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6903267
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide (CID 6027421) is 3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide is CCCOc1ccc(/C=N\NC(=O)c2cc3ccccc3cc2O)cc1.
What is the InChIKey of 3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is JKUNUZLTGRFSNI-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-2-11-26-18-9-7-15(8-10-18)14-22-23-21(25)19-12-16-5-3-4-6-17(16)13-20(19)24/h3-10,12-14,24H,2,11H2,1H3,(H,23,25)/b22-14-.
What are the key properties of 3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(Z)-(4-propoxyphenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 6027421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).