2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide

C13H18N2O3 — CID 17141081

IUPAC2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOCC(=O)N/N=C/c1ccc(OCC)cc1
InChIInChI=1S/C13H18N2O3/c1-3-17-10-13(16)15-14-9-11-5-7-12(8-6-11)18-4-2/h5-9H,3-4,10H2,1-2H3,(H,15,16)/b14-9+
InChIKeyHYVWXQRWWJGJNX-NTEUORMPSA-N
MW250.30 g/mol
LogP1.57
Rot. Bonds7

About 2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide

2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide (PubChem CID 17141081) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
PubChem CID17141081
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOCC(=O)N/N=C/c1ccc(OCC)cc1
InChIInChI=1S/C13H18N2O3/c1-3-17-10-13(16)15-14-9-11-5-7-12(8-6-11)18-4-2/h5-9H,3-4,10H2,1-2H3,(H,15,16)/b14-9+
InChIKeyHYVWXQRWWJGJNX-NTEUORMPSA-N
XLogP1.57
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.57
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

N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
2-cyano-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 2806400
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 6308469
N-[(4-ethoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4164318
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 5420756
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide (CID 17141081) is 2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide is CCOCC(=O)N/N=C/c1ccc(OCC)cc1.
What is the InChIKey of 2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide?
The InChIKey is HYVWXQRWWJGJNX-NTEUORMPSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-17-10-13(16)15-14-9-11-5-7-12(8-6-11)18-4-2/h5-9H,3-4,10H2,1-2H3,(H,15,16)/b14-9+.
What are the key properties of 2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide?
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide has a molecular weight of 250.30 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 17141081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).