N-tert-butyl-2-(2-methylphenoxy)acetamide

C13H19NO2 — CID 729996

IUPACN-tert-butyl-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C13H19NO2/c1-10-7-5-6-8-11(10)16-9-12(15)14-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyPNTMIRLQNULKGO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.29
Rot. Bonds3

About N-tert-butyl-2-(2-methylphenoxy)acetamide

N-tert-butyl-2-(2-methylphenoxy)acetamide (PubChem CID 729996) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methylphenoxy)acetamide
PubChem CID729996
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-tert-butyl-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C13H19NO2/c1-10-7-5-6-8-11(10)16-9-12(15)14-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15)
InChIKeyPNTMIRLQNULKGO-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-tert-butyl-2-(2-methylphenoxy)acetamide (CID 729996) is N-tert-butyl-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-methylphenoxy)acetamide?
The InChIKey is PNTMIRLQNULKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-7-5-6-8-11(10)16-9-12(15)14-13(2,3)4/h5-8H,9H2,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-2-(2-methylphenoxy)acetamide?
N-tert-butyl-2-(2-methylphenoxy)acetamide has a molecular weight of 221.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 729996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).