2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide

C12H18N2O3 — CID 22593839

IUPAC2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
SMILESCON(C)C(=O)C(N)(O)CCc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-14(17-2)11(15)12(13,16)9-8-10-6-4-3-5-7-10/h3-7,16H,8-9,13H2,1-2H3
InChIKeyWXDOASYAJDQJKP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.29
Rot. Bonds5

About 2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide

2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide (PubChem CID 22593839) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
PubChem CID22593839
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
SMILESCON(C)C(=O)C(N)(O)CCc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-14(17-2)11(15)12(13,16)9-8-10-6-4-3-5-7-10/h3-7,16H,8-9,13H2,1-2H3
InChIKeyWXDOASYAJDQJKP-UHFFFAOYSA-N
XLogP0.29
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide?
The IUPAC name of 2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide (CID 22593839) is 2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide.
What is the SMILES notation for 2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide?
The canonical SMILES for 2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide is CON(C)C(=O)C(N)(O)CCc1ccccc1.
What is the InChIKey of 2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide?
The InChIKey is WXDOASYAJDQJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(17-2)11(15)12(13,16)9-8-10-6-4-3-5-7-10/h3-7,16H,8-9,13H2,1-2H3.
What are the key properties of 2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide?
2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide has a molecular weight of 238.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 22593839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).