2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide

C14H21NO2 — CID 82041366

IUPAC2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCC(C)(C)C(N)=O)c1C
InChIInChI=1S/C14H21NO2/c1-9-6-7-10(2)12(11(9)3)17-8-14(4,5)13(15)16/h6-7H,8H2,1-5H3,(H2,15,16)
InChIKeyNXYOQMIQPBQMLZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.50
Rot. Bonds4

About 2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide

2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide (PubChem CID 82041366) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide
PubChem CID82041366
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide
SMILESCc1ccc(C)c(OCC(C)(C)C(N)=O)c1C
InChIInChI=1S/C14H21NO2/c1-9-6-7-10(2)12(11(9)3)17-8-14(4,5)13(15)16/h6-7H,8H2,1-5H3,(H2,15,16)
InChIKeyNXYOQMIQPBQMLZ-UHFFFAOYSA-N
XLogP2.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide?
The IUPAC name of 2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide (CID 82041366) is 2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide is Cc1ccc(C)c(OCC(C)(C)C(N)=O)c1C.
What is the InChIKey of 2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide?
The InChIKey is NXYOQMIQPBQMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-6-7-10(2)12(11(9)3)17-8-14(4,5)13(15)16/h6-7H,8H2,1-5H3,(H2,15,16).
What are the key properties of 2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide?
2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,3,6-trimethylphenoxy)propanamide is sourced from PubChem (CID 82041366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).