3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide

C13H18N2O4 — CID 135553938

IUPAC3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
SMILESCCOCCC(=O)N/N=C/c1cccc(OC)c1O
InChIInChI=1S/C13H18N2O4/c1-3-19-8-7-12(16)15-14-9-10-5-4-6-11(18-2)13(10)17/h4-6,9,17H,3,7-8H2,1-2H3,(H,15,16)/b14-9+
InChIKeyYUEJMCLZYOELPP-NTEUORMPSA-N
MW266.30 g/mol
LogP1.28
Rot. Bonds7

About 3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide

3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide (PubChem CID 135553938) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
PubChem CID135553938
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
SMILESCCOCCC(=O)N/N=C/c1cccc(OC)c1O
InChIInChI=1S/C13H18N2O4/c1-3-19-8-7-12(16)15-14-9-10-5-4-6-11(18-2)13(10)17/h4-6,9,17H,3,7-8H2,1-2H3,(H,15,16)/b14-9+
InChIKeyYUEJMCLZYOELPP-NTEUORMPSA-N
XLogP1.28
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
CID 4127873
ethyl N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamate
CID 135458848
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide
CID 43887205
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
2-(4-butoxyphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766975
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide
CID 135645954
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 136817906
2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide (CID 135553938) is 3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide is CCOCCC(=O)N/N=C/c1cccc(OC)c1O.
What is the InChIKey of 3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide?
The InChIKey is YUEJMCLZYOELPP-NTEUORMPSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-19-8-7-12(16)15-14-9-10-5-4-6-11(18-2)13(10)17/h4-6,9,17H,3,7-8H2,1-2H3,(H,15,16)/b14-9+.
What are the key properties of 3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide?
3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide has a molecular weight of 266.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135553938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).