2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide

C12H16N2O3 — CID 4633762

IUPAC2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide
SMILESCCC=NNC(=O)COc1ccc(OC)cc1
InChIInChI=1S/C12H16N2O3/c1-3-8-13-14-12(15)9-17-11-6-4-10(16-2)5-7-11/h4-8H,3,9H2,1-2H3,(H,14,15)
InChIKeyLQCAOMVOEUVSEX-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.59
Rot. Bonds6

About 2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide

2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide (PubChem CID 4633762) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide
PubChem CID4633762
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide
SMILESCCC=NNC(=O)COc1ccc(OC)cc1
InChIInChI=1S/C12H16N2O3/c1-3-8-13-14-12(15)9-17-11-6-4-10(16-2)5-7-11/h4-8H,3,9H2,1-2H3,(H,14,15)
InChIKeyLQCAOMVOEUVSEX-UHFFFAOYSA-N
XLogP1.59
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.59
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-phenoxy-N-[(Z)-propylideneamino]acetamide
CID 6119028
2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
CID 4617733
2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide
CID 4632362
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6386184
methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 2303785
N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6899366
2-(4-methoxyphenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5425519
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 135719900
2-(4-methoxyphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426289

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide (CID 4633762) is 2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide is CCC=NNC(=O)COc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide?
The InChIKey is LQCAOMVOEUVSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-8-13-14-12(15)9-17-11-6-4-10(16-2)5-7-11/h4-8H,3,9H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide?
2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide has a molecular weight of 236.27 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide is sourced from PubChem (CID 4633762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).