N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide

C17H18N2O3 — CID 724075

IUPACN-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NN=Cc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-2-21-15-10-6-7-11-16(15)22-13-17(20)19-18-12-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,19,20)
InChIKeyDRENUICQJXWKRE-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.61
Rot. Bonds7

About N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide

N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide (PubChem CID 724075) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
PubChem CID724075
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NN=Cc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-2-21-15-10-6-7-11-16(15)22-13-17(20)19-18-12-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,19,20)
InChIKeyDRENUICQJXWKRE-UHFFFAOYSA-N
XLogP2.61
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyphenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 19189958
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991602
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6066854
N-(benzylideneamino)-2-(2-hydroxyphenoxy)acetamide
CID 2308885
2-(2-ethoxyphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 2425831
2-(2-ethoxyphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 7334062
N-[(Z)-benzylideneamino]-2-(2-phenylphenoxy)acetamide
CID 5420157
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
2-(2-ethoxyphenoxy)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 25249395
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 7602026

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide (CID 724075) is N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is DRENUICQJXWKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-2-21-15-10-6-7-11-16(15)22-13-17(20)19-18-12-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,19,20).
What are the key properties of N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide?
N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 298.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 724075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).