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

C13H18N2O3 — CID 4632362

IUPAC2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide
SMILESCOc1ccc(OCC(=O)NN=CC(C)C)cc1
InChIInChI=1S/C13H18N2O3/c1-10(2)8-14-15-13(16)9-18-12-6-4-11(17-3)5-7-12/h4-8,10H,9H2,1-3H3,(H,15,16)
InChIKeyYCVCCIMIIAJNDD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.83
Rot. Bonds6

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

2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide (PubChem CID 4632362) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide
PubChem CID4632362
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide
SMILESCOc1ccc(OCC(=O)NN=CC(C)C)cc1
InChIInChI=1S/C13H18N2O3/c1-10(2)8-14-15-13(16)9-18-12-6-4-11(17-3)5-7-12/h4-8,10H,9H2,1-3H3,(H,15,16)
InChIKeyYCVCCIMIIAJNDD-UHFFFAOYSA-N
XLogP1.83
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.83
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-(4-methoxyphenoxy)-N-(propylideneamino)acetamide
CID 4633762
propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927337
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788
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)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426289
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6114136
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide
CID 129439170
N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4924837
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 135719900

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide (CID 4632362) is 2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide is COc1ccc(OCC(=O)NN=CC(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide?
The InChIKey is YCVCCIMIIAJNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(2)8-14-15-13(16)9-18-12-6-4-11(17-3)5-7-12/h4-8,10H,9H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide?
2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide has a molecular weight of 250.30 g/mol, XLogP of 1.83, 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-(2-methylpropylideneamino)acetamide is sourced from PubChem (CID 4632362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).