2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide

C12H15N3O3 — CID 54908932

IUPAC2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide
SMILESNc1ccc(OCC(=O)NC(=O)NC2CC2)cc1
InChIInChI=1S/C12H15N3O3/c13-8-1-5-10(6-2-8)18-7-11(16)15-12(17)14-9-3-4-9/h1-2,5-6,9H,3-4,7,13H2,(H2,14,15,16,17)
InChIKeyJZNCUJJHJYRUIN-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.64
Rot. Bonds4

About 2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide

2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 54908932) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide
PubChem CID54908932
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide
SMILESNc1ccc(OCC(=O)NC(=O)NC2CC2)cc1
InChIInChI=1S/C12H15N3O3/c13-8-1-5-10(6-2-8)18-7-11(16)15-12(17)14-9-3-4-9/h1-2,5-6,9H,3-4,7,13H2,(H2,14,15,16,17)
InChIKeyJZNCUJJHJYRUIN-UHFFFAOYSA-N
XLogP0.64
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 61026518
3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide
CID 79385591
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
N-(cyclohexylcarbamoyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7707104
2-(4-aminophenoxy)-N-(1,1-dioxothian-4-yl)acetamide
CID 61102889
2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559
2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689734
2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
CID 55190193
2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide
CID 54908666
2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64654058
4-amino-N-(cyclopentylcarbamoyl)benzamide
CID 108902754

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide (CID 54908932) is 2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide is Nc1ccc(OCC(=O)NC(=O)NC2CC2)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is JZNCUJJHJYRUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-8-1-5-10(6-2-8)18-7-11(16)15-12(17)14-9-3-4-9/h1-2,5-6,9H,3-4,7,13H2,(H2,14,15,16,17).
What are the key properties of 2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide?
2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 249.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 54908932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).