N-(2-methoxy-2-phenylbutyl)acetamide

C13H19NO2 — CID 71810717

IUPACN-(2-methoxy-2-phenylbutyl)acetamide
SMILESCCC(CNC(C)=O)(OC)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-13(16-3,10-14-11(2)15)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,14,15)
InChIKeyRJSGVGWKQPNAKY-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds5

About N-(2-methoxy-2-phenylbutyl)acetamide

N-(2-methoxy-2-phenylbutyl)acetamide (PubChem CID 71810717) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylbutyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylbutyl)acetamide
PubChem CID71810717
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-methoxy-2-phenylbutyl)acetamide
SMILESCCC(CNC(C)=O)(OC)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-13(16-3,10-14-11(2)15)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,14,15)
InChIKeyRJSGVGWKQPNAKY-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylbutyl)acetamide?
The IUPAC name of N-(2-methoxy-2-phenylbutyl)acetamide (CID 71810717) is N-(2-methoxy-2-phenylbutyl)acetamide.
What is the SMILES notation for N-(2-methoxy-2-phenylbutyl)acetamide?
The canonical SMILES for N-(2-methoxy-2-phenylbutyl)acetamide is CCC(CNC(C)=O)(OC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylbutyl)acetamide?
The InChIKey is RJSGVGWKQPNAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-13(16-3,10-14-11(2)15)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methoxy-2-phenylbutyl)acetamide?
N-(2-methoxy-2-phenylbutyl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylbutyl)acetamide is sourced from PubChem (CID 71810717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).