2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide

C23H22N2O4 — CID 135576128

IUPAC2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1Cc1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C23H22N2O4/c1-16(20-12-11-19(26)14-21(20)27)24-25-23(28)15-29-22-10-6-5-9-18(22)13-17-7-3-2-4-8-17/h2-12,14,26-27H,13,15H2,1H3,(H,25,28)/b24-16+
InChIKeyADDCCSYVPQCRAK-LFVJCYFKSA-N
MW390.44 g/mol
LogP3.61
Rot. Bonds7

About 2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide

2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide (PubChem CID 135576128) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
PubChem CID135576128
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1Cc1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C23H22N2O4/c1-16(20-12-11-19(26)14-21(20)27)24-25-23(28)15-29-22-10-6-5-9-18(22)13-17-7-3-2-4-8-17/h2-12,14,26-27H,13,15H2,1H3,(H,25,28)/b24-16+
InChIKeyADDCCSYVPQCRAK-LFVJCYFKSA-N
XLogP3.61
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
CID 135680240
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033643
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135569434
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 137166775
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4155811
N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 136690202
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 54777323
2-(2,5-dimethylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3303808
2-(2-benzylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7899812
2-(2,4-dichlorophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135490414
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
CID 34756829

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide (CID 135576128) is 2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)COc1ccccc1Cc1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is ADDCCSYVPQCRAK-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-16(20-12-11-19(26)14-21(20)27)24-25-23(28)15-29-22-10-6-5-9-18(22)13-17-7-3-2-4-8-17/h2-12,14,26-27H,13,15H2,1H3,(H,25,28)/b24-16+.
What are the key properties of 2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide?
2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135576128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).