N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide

C23H30N2O3 — CID 46501793

IUPACN-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
SMILESCCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C23H30N2O3/c1-2-3-4-5-6-10-17-27-21-13-15-22(16-14-21)28-19-23(26)25-24-18-20-11-8-7-9-12-20/h7-9,11-16,18H,2-6,10,17,19H2,1H3,(H,25,26)/b24-18+
InChIKeySQAXHPSSRDBBMZ-HKOYGPOVSA-N
MW382.50 g/mol
LogP4.95
Rot. Bonds13

About N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide

N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide (PubChem CID 46501793) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
PubChem CID46501793
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
SMILESCCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C23H30N2O3/c1-2-3-4-5-6-10-17-27-21-13-15-22(16-14-21)28-19-23(26)25-24-18-20-11-8-7-9-12-20/h7-9,11-16,18H,2-6,10,17,19H2,1H3,(H,25,26)/b24-18+
InChIKeySQAXHPSSRDBBMZ-HKOYGPOVSA-N
XLogP4.95
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

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-butylphenoxy)acetamide
CID 6876624
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19190689
2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
CID 2431577
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 3562472
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
CID 4038788
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide (CID 46501793) is N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide is CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide?
The InChIKey is SQAXHPSSRDBBMZ-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-2-3-4-5-6-10-17-27-21-13-15-22(16-14-21)28-19-23(26)25-24-18-20-11-8-7-9-12-20/h7-9,11-16,18H,2-6,10,17,19H2,1H3,(H,25,26)/b24-18+.
What are the key properties of N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide?
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide has a molecular weight of 382.50 g/mol, XLogP of 4.95, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide is sourced from PubChem (CID 46501793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).