N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

C19H16N2O3 — CID 3743730

IUPACN-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1ccc(O)cc1
InChIInChI=1S/C19H16N2O3/c1-24-18-11-15-5-3-2-4-14(15)10-17(18)19(23)21-20-12-13-6-8-16(22)9-7-13/h2-12,22H,1H3,(H,21,23)
InChIKeyMMVSFEMFEXOMSF-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.32
Rot. Bonds4

About N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 3743730) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID3743730
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1ccc(O)cc1
InChIInChI=1S/C19H16N2O3/c1-24-18-11-15-5-3-2-4-14(15)10-17(18)19(23)21-20-12-13-6-8-16(22)9-7-13/h2-12,22H,1H3,(H,21,23)
InChIKeyMMVSFEMFEXOMSF-UHFFFAOYSA-N
XLogP3.32
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135647002
3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5173302
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 136720676
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3092708
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6280674
3-[[4-[[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 4314074
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N-[(2-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 2306154
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137045197
N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4675268

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 3743730) is N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NN=Cc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is MMVSFEMFEXOMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-18-11-15-5-3-2-4-14(15)10-17(18)19(23)21-20-12-13-6-8-16(22)9-7-13/h2-12,22H,1H3,(H,21,23).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 3743730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).