N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide

C14H20N2O4 — CID 43887205

IUPACN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide
SMILESCCOCCC(=O)N/N=C/c1ccc(OC)cc1OC
InChIInChI=1S/C14H20N2O4/c1-4-20-8-7-14(17)16-15-10-11-5-6-12(18-2)9-13(11)19-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)/b15-10+
InChIKeyRMNYFWJZMBVLOZ-XNTDXEJSSA-N
MW280.32 g/mol
LogP1.58
Rot. Bonds8

About N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide (PubChem CID 43887205) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide
PubChem CID43887205
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide
SMILESCCOCCC(=O)N/N=C/c1ccc(OC)cc1OC
InChIInChI=1S/C14H20N2O4/c1-4-20-8-7-14(17)16-15-10-11-5-6-12(18-2)9-13(11)19-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)/b15-10+
InChIKeyRMNYFWJZMBVLOZ-XNTDXEJSSA-N
XLogP1.58
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-ethoxy-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135553938
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
CID 6872325
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 44506961
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 4132961
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 871407
2-(2-chlorophenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 958496
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944791

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide?
The IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide (CID 43887205) is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide.
What is the SMILES notation for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide?
The canonical SMILES for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide is CCOCCC(=O)N/N=C/c1ccc(OC)cc1OC.
What is the InChIKey of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide?
The InChIKey is RMNYFWJZMBVLOZ-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-20-8-7-14(17)16-15-10-11-5-6-12(18-2)9-13(11)19-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,16,17)/b15-10+.
What are the key properties of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide?
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide has a molecular weight of 280.32 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-ethoxypropanamide is sourced from PubChem (CID 43887205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).