(2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide

C13H20N2O2 — CID 28908776

IUPAC(2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide
SMILESC[C@@H](Oc1cccc(N)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-9(12(16)15-13(2,3)4)17-11-7-5-6-10(14)8-11/h5-9H,14H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeyXSJKZZIGECRTOV-SECBINFHSA-N
MW236.31 g/mol
LogP1.95
Rot. Bonds3

About (2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide

(2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide (PubChem CID 28908776) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide
PubChem CID28908776
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide
SMILESC[C@@H](Oc1cccc(N)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-9(12(16)15-13(2,3)4)17-11-7-5-6-10(14)8-11/h5-9H,14H2,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeyXSJKZZIGECRTOV-SECBINFHSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide?
The IUPAC name of (2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide (CID 28908776) is (2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide.
What is the SMILES notation for (2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide?
The canonical SMILES for (2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide is C[C@@H](Oc1cccc(N)c1)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide?
The InChIKey is XSJKZZIGECRTOV-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(12(16)15-13(2,3)4)17-11-7-5-6-10(14)8-11/h5-9H,14H2,1-4H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide?
(2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-aminophenoxy)-N-tert-butylpropanamide is sourced from PubChem (CID 28908776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).