N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide

C19H16N2O3 — CID 2828053

IUPACN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1O
InChIInChI=1S/C19H16N2O3/c1-24-18-11-13(9-10-17(18)22)12-20-21-19(23)16-8-4-6-14-5-2-3-7-15(14)16/h2-12,22H,1H3,(H,21,23)
InChIKeySJJZEXPPNDEEHF-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.32
Rot. Bonds4

About N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide

N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 2828053) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID2828053
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1O
InChIInChI=1S/C19H16N2O3/c1-24-18-11-13(9-10-17(18)22)12-20-21-19(23)16-8-4-6-14-5-2-3-7-15(14)16/h2-12,22H,1H3,(H,21,23)
InChIKeySJJZEXPPNDEEHF-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

1-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 136742494
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135426068
[2-methoxy-4-[(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 3779097
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135678576
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 135457356
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
2-[(4-chlorophenyl)methoxy]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 4582846
[2-methoxy-4-[(E)-[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 6872498
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 5430737
2,4-dihydroxy-N-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 4230907

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide (CID 2828053) is N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide is COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is SJJZEXPPNDEEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-18-11-13(9-10-17(18)22)12-20-21-19(23)16-8-4-6-14-5-2-3-7-15(14)16/h2-12,22H,1H3,(H,21,23).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-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-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 2828053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).