2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide

C13H20N2O2 — CID 22593896

IUPAC2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide
SMILESCOC(N)(CCc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C13H20N2O2/c1-15(2)12(16)13(14,17-3)10-9-11-7-5-4-6-8-11/h4-8H,9-10,14H2,1-3H3
InChIKeyRMJTYVOMNNFIKM-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.01
Rot. Bonds5

About 2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide

2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide (PubChem CID 22593896) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide
PubChem CID22593896
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide
SMILESCOC(N)(CCc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C13H20N2O2/c1-15(2)12(16)13(14,17-3)10-9-11-7-5-4-6-8-11/h4-8H,9-10,14H2,1-3H3
InChIKeyRMJTYVOMNNFIKM-UHFFFAOYSA-N
XLogP1.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide?
The IUPAC name of 2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide (CID 22593896) is 2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide.
What is the SMILES notation for 2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide?
The canonical SMILES for 2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide is COC(N)(CCc1ccccc1)C(=O)N(C)C.
What is the InChIKey of 2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide?
The InChIKey is RMJTYVOMNNFIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15(2)12(16)13(14,17-3)10-9-11-7-5-4-6-8-11/h4-8H,9-10,14H2,1-3H3.
What are the key properties of 2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide?
2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide has a molecular weight of 236.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methoxy-N,N-dimethyl-4-phenylbutanamide is sourced from PubChem (CID 22593896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).