2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide

C19H16N2O5 — CID 171978736

IUPAC2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(O)c(O)c1O
InChIInChI=1S/C19H16N2O5/c22-16-8-6-14(18(24)19(16)25)10-20-21-17(23)11-26-15-7-5-12-3-1-2-4-13(12)9-15/h1-10,22,24-25H,11H2,(H,21,23)/b20-10+
InChIKeyHWCSDQSEOGTWLO-KEBDBYFISA-N
MW352.35 g/mol
LogP2.49
Rot. Bonds5

About 2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide

2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide (PubChem CID 171978736) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
PubChem CID171978736
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(O)c(O)c1O
InChIInChI=1S/C19H16N2O5/c22-16-8-6-14(18(24)19(16)25)10-20-21-17(23)11-26-15-7-5-12-3-1-2-4-13(12)9-15/h1-10,22,24-25H,11H2,(H,21,23)/b20-10+
InChIKeyHWCSDQSEOGTWLO-KEBDBYFISA-N
XLogP2.49
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 135643704
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 1240410
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3762152
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-2-phenoxyacetamide
CID 4164317
N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 917804
2-naphthalen-2-yloxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6041934
N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 135642435
2-naphthalen-2-yloxy-N-(pyridin-2-ylmethylideneamino)acetamide
CID 826768
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3610097
2-(3-bromophenoxy)-N-[(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 2641940

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide (CID 171978736) is 2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide is O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(O)c(O)c1O.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is HWCSDQSEOGTWLO-KEBDBYFISA-N. The full InChI is InChI=1S/C19H16N2O5/c22-16-8-6-14(18(24)19(16)25)10-20-21-17(23)11-26-15-7-5-12-3-1-2-4-13(12)9-15/h1-10,22,24-25H,11H2,(H,21,23)/b20-10+.
What are the key properties of 2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide?
2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 352.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 171978736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).