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

C12H17N3O3 — CID 54908666

IUPAC2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1ccc(N)cc1
InChIInChI=1S/C12H17N3O3/c1-2-7-14-12(17)15-11(16)8-18-10-5-3-9(13)4-6-10/h3-6H,2,7-8,13H2,1H3,(H2,14,15,16,17)
InChIKeyFZOLGUUNGDEVKD-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.88
Rot. Bonds5

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

2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide (PubChem CID 54908666) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide
PubChem CID54908666
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1ccc(N)cc1
InChIInChI=1S/C12H17N3O3/c1-2-7-14-12(17)15-11(16)8-18-10-5-3-9(13)4-6-10/h3-6H,2,7-8,13H2,1H3,(H2,14,15,16,17)
InChIKeyFZOLGUUNGDEVKD-UHFFFAOYSA-N
XLogP0.88
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.88
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

N-(butylcarbamoyl)-2-(4-ethoxyphenoxy)acetamide
CID 9353681
4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid
CID 43214758
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(propylcarbamoyl)acetamide
CID 7642995
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139525
2-[3-(methylaminomethyl)phenoxy]-N-(propylcarbamoyl)acetamide
CID 106486086
2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide
CID 54908932
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905904
2-[[2-(4-aminophenoxy)acetyl]amino]acetamide
CID 61090712
2-(4-aminophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 61026518

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide (CID 54908666) is 2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide?
The InChIKey is FZOLGUUNGDEVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-7-14-12(17)15-11(16)8-18-10-5-3-9(13)4-6-10/h3-6H,2,7-8,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide?
2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide has a molecular weight of 251.29 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 54908666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).