2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide

C19H22N2O4 — CID 3562472

IUPAC2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCCCCOc1ccc(OCC(=O)NN=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-2-3-12-24-17-8-10-18(11-9-17)25-14-19(23)21-20-13-15-4-6-16(22)7-5-15/h4-11,13,22H,2-3,12,14H2,1H3,(H,21,23)
InChIKeyAGJFRXHRNIUVJP-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.10
Rot. Bonds9

About 2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide

2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 3562472) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID3562472
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
SMILESCCCCOc1ccc(OCC(=O)NN=Cc2ccc(O)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-2-3-12-24-17-8-10-18(11-9-17)25-14-19(23)21-20-13-15-4-6-16(22)7-5-15/h4-11,13,22H,2-3,12,14H2,1H3,(H,21,23)
InChIKeyAGJFRXHRNIUVJP-UHFFFAOYSA-N
XLogP3.10
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
CID 2431577
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19190689
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
2-(4-bromo-3-methylphenoxy)-N-[(E)-(4-butoxyphenyl)methylideneamino]acetamide
CID 19189802
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6298217
N-(4-butoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135821329

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide (CID 3562472) is 2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide is CCCCOc1ccc(OCC(=O)NN=Cc2ccc(O)cc2)cc1.
What is the InChIKey of 2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is AGJFRXHRNIUVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-3-12-24-17-8-10-18(11-9-17)25-14-19(23)21-20-13-15-4-6-16(22)7-5-15/h4-11,13,22H,2-3,12,14H2,1H3,(H,21,23).
What are the key properties of 2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide?
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 3562472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).