N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide

C20H18N2O2 — CID 689528

IUPACN-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(O)c(C=NNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H18N2O2/c1-14-9-10-19(23)17(11-14)13-21-22-20(24)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-11,13,23H,12H2,1H3,(H,22,24)
InChIKeyQYXQKWHFWOBZBD-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.55
Rot. Bonds4

About N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide

N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 689528) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID689528
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(O)c(C=NNC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H18N2O2/c1-14-9-10-19(23)17(11-14)13-21-22-20(24)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-11,13,23H,12H2,1H3,(H,22,24)
InChIKeyQYXQKWHFWOBZBD-UHFFFAOYSA-N
XLogP3.55
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(Z)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 136664015
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3588313
2-(2,4-dimethylphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137258704
N-[(Z)-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 94845496
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 135627903
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5416826
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(6-methyl-2-oxochromen-4-yl)acetamide
CID 135951834
N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657836
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5074421
N-[(Z)-[2,4-di(propan-2-yloxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126266627
N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5340905

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide (CID 689528) is N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide is Cc1ccc(O)c(C=NNC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is QYXQKWHFWOBZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14-9-10-19(23)17(11-14)13-21-22-20(24)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-11,13,23H,12H2,1H3,(H,22,24).
What are the key properties of N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide?
N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 318.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 689528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).