2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide

C22H20N2O5 — CID 135464283

IUPAC2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide
SMILESO=C(Cc1cc(/N=C/c2cc(O)ccc2O)ccc1O)NOCc1ccccc1
InChIInChI=1S/C22H20N2O5/c25-19-7-9-21(27)17(11-19)13-23-18-6-8-20(26)16(10-18)12-22(28)24-29-14-15-4-2-1-3-5-15/h1-11,13,25-27H,12,14H2,(H,24,28)/b23-13+
InChIKeyNQSXLQDSUVJXKV-YDZHTSKRSA-N
MW392.41 g/mol
LogP3.34
Rot. Bonds7

About 2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide

2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide (PubChem CID 135464283) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide
PubChem CID135464283
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide
SMILESO=C(Cc1cc(/N=C/c2cc(O)ccc2O)ccc1O)NOCc1ccccc1
InChIInChI=1S/C22H20N2O5/c25-19-7-9-21(27)17(11-19)13-23-18-6-8-20(26)16(10-18)12-22(28)24-29-14-15-4-2-1-3-5-15/h1-11,13,25-27H,12,14H2,(H,24,28)/b23-13+
InChIKeyNQSXLQDSUVJXKV-YDZHTSKRSA-N
XLogP3.34
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

2-(2-methylphenyl)-N-phenylmethoxyacetamide
CID 32578031
4-methoxy-2-[(4-phenylmethoxyphenyl)iminomethyl]phenol
CID 135787695
2-(2,5-dimethylphenyl)-N-phenylmethoxyacetamide
CID 63102778
N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 3328322
2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol
CID 173347602
2-(3-aminophenyl)-N-phenylmethoxyacetamide
CID 65350168
4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol
CID 135799750
2-(3,4-dichlorophenyl)-N-phenylmethoxyacetamide
CID 8908973
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
N-phenylmethoxyhexanamide
CID 60717350
4-benzyl-2-(phenyliminomethyl)phenol
CID 135819180
4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
CID 135588522

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide?
The IUPAC name of 2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide (CID 135464283) is 2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide?
The canonical SMILES for 2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide is O=C(Cc1cc(/N=C/c2cc(O)ccc2O)ccc1O)NOCc1ccccc1.
What is the InChIKey of 2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide?
The InChIKey is NQSXLQDSUVJXKV-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H20N2O5/c25-19-7-9-21(27)17(11-19)13-23-18-6-8-20(26)16(10-18)12-22(28)24-29-14-15-4-2-1-3-5-15/h1-11,13,25-27H,12,14H2,(H,24,28)/b23-13+.
What are the key properties of 2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide?
2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide has a molecular weight of 392.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxyphenyl]-N-phenylmethoxyacetamide is sourced from PubChem (CID 135464283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).