4-[[2-(2-aminophenoxy)acetyl]amino]butanamide

C12H17N3O3 — CID 60865173

IUPAC4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
SMILESNC(=O)CCCNC(=O)COc1ccccc1N
InChIInChI=1S/C12H17N3O3/c13-9-4-1-2-5-10(9)18-8-12(17)15-7-3-6-11(14)16/h1-2,4-5H,3,6-8,13H2,(H2,14,16)(H,15,17)
InChIKeyKKEWWWAUKOJABH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.03
Rot. Bonds7

About 4-[[2-(2-aminophenoxy)acetyl]amino]butanamide

4-[[2-(2-aminophenoxy)acetyl]amino]butanamide (PubChem CID 60865173) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[[2-(2-aminophenoxy)acetyl]amino]butanamide.

Molecular Properties

Compound Name4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
PubChem CID60865173
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
SMILESNC(=O)CCCNC(=O)COc1ccccc1N
InChIInChI=1S/C12H17N3O3/c13-9-4-1-2-5-10(9)18-8-12(17)15-7-3-6-11(14)16/h1-2,4-5H,3,6-8,13H2,(H2,14,16)(H,15,17)
InChIKeyKKEWWWAUKOJABH-UHFFFAOYSA-N
XLogP0.03
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-N-pent-4-ynylacetamide
CID 106219762
2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide
CID 106006099
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 28993548
3-(2-aminophenoxy)propanamide
CID 39869131
3-(2-aminophenoxy)-N-pentylpropanamide
CID 61090081
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid
CID 84555646
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
CID 61091283
N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide
CID 84555823
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
CID 60812238

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-aminophenoxy)acetyl]amino]butanamide?
The IUPAC name of 4-[[2-(2-aminophenoxy)acetyl]amino]butanamide (CID 60865173) is 4-[[2-(2-aminophenoxy)acetyl]amino]butanamide.
What is the SMILES notation for 4-[[2-(2-aminophenoxy)acetyl]amino]butanamide?
The canonical SMILES for 4-[[2-(2-aminophenoxy)acetyl]amino]butanamide is NC(=O)CCCNC(=O)COc1ccccc1N.
What is the InChIKey of 4-[[2-(2-aminophenoxy)acetyl]amino]butanamide?
The InChIKey is KKEWWWAUKOJABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-9-4-1-2-5-10(9)18-8-12(17)15-7-3-6-11(14)16/h1-2,4-5H,3,6-8,13H2,(H2,14,16)(H,15,17).
What are the key properties of 4-[[2-(2-aminophenoxy)acetyl]amino]butanamide?
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide has a molecular weight of 251.29 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-aminophenoxy)acetyl]amino]butanamide is sourced from PubChem (CID 60865173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).