2-(3-aminophenoxy)butanamide

C10H14N2O2 — CID 62901524

IUPAC2-(3-aminophenoxy)butanamide
SMILESCCC(Oc1cccc(N)c1)C(N)=O
InChIInChI=1S/C10H14N2O2/c1-2-9(10(12)13)14-8-5-3-4-7(11)6-8/h3-6,9H,2,11H2,1H3,(H2,12,13)
InChIKeyOVLMIXJFXFCFRH-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.91
Rot. Bonds4

About 2-(3-aminophenoxy)butanamide

2-(3-aminophenoxy)butanamide (PubChem CID 62901524) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-aminophenoxy)butanamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)butanamide
PubChem CID62901524
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(3-aminophenoxy)butanamide
SMILESCCC(Oc1cccc(N)c1)C(N)=O
InChIInChI=1S/C10H14N2O2/c1-2-9(10(12)13)14-8-5-3-4-7(11)6-8/h3-6,9H,2,11H2,1H3,(H2,12,13)
InChIKeyOVLMIXJFXFCFRH-UHFFFAOYSA-N
XLogP0.91
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-aminophenoxy)butanoic acid
CID 40788014
methyl 2-(3-aminophenoxy)butanoate
CID 18433398
(1-amino-1-oxobutan-2-yl) 2-(3-aminophenoxy)acetate
CID 62901789
2-[3-(aminomethyl)phenoxy]butanamide
CID 55210264
2-(3-aminophenoxy)propanamide
CID 43115971
2-(3-aminophenoxy)-1-(2,4-dibromophenyl)butan-1-one
CID 46307590
2-(3-aminophenoxy)-1-(2,5-dibromophenyl)butan-1-one
CID 46307594
2-(3-aminophenoxy)-2-methoxyacetamide
CID 152507296
2-(4-methylphenoxy)butanamide
CID 4980758
2-(4-ethoxyphenoxy)butanamide
CID 62901060
2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide
CID 55131413
1-(3-aminophenoxy)butan-1-ol
CID 173226029

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)butanamide?
The IUPAC name of 2-(3-aminophenoxy)butanamide (CID 62901524) is 2-(3-aminophenoxy)butanamide.
What is the SMILES notation for 2-(3-aminophenoxy)butanamide?
The canonical SMILES for 2-(3-aminophenoxy)butanamide is CCC(Oc1cccc(N)c1)C(N)=O.
What is the InChIKey of 2-(3-aminophenoxy)butanamide?
The InChIKey is OVLMIXJFXFCFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-9(10(12)13)14-8-5-3-4-7(11)6-8/h3-6,9H,2,11H2,1H3,(H2,12,13).
What are the key properties of 2-(3-aminophenoxy)butanamide?
2-(3-aminophenoxy)butanamide has a molecular weight of 194.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)butanamide is sourced from PubChem (CID 62901524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).