2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide

C13H19N3O3 — CID 61093485

IUPAC2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)C(=O)COc1cccc(N)c1
InChIInChI=1S/C13H19N3O3/c1-9(2)16(7-12(15)17)13(18)8-19-11-5-3-4-10(14)6-11/h3-6,9H,7-8,14H2,1-2H3,(H2,15,17)
InChIKeyZTIKYSNXLLNUOV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.37
Rot. Bonds6

About 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide

2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide (PubChem CID 61093485) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide
PubChem CID61093485
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)C(=O)COc1cccc(N)c1
InChIInChI=1S/C13H19N3O3/c1-9(2)16(7-12(15)17)13(18)8-19-11-5-3-4-10(14)6-11/h3-6,9H,7-8,14H2,1-2H3,(H2,15,17)
InChIKeyZTIKYSNXLLNUOV-UHFFFAOYSA-N
XLogP0.37
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093681
2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103187365
2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide
CID 61093481
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610
3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 61094495
2-(3-aminophenoxy)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)acetamide
CID 61109669
2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61104642
2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 61090094
2-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573280
2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114946878
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
2-(3-aminophenoxy)-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 61426808

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide (CID 61093485) is 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)C(=O)COc1cccc(N)c1.
What is the InChIKey of 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide?
The InChIKey is ZTIKYSNXLLNUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(2)16(7-12(15)17)13(18)8-19-11-5-3-4-10(14)6-11/h3-6,9H,7-8,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide?
2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-aminophenoxy)acetyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 61093485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).