N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide

C13H21NO — CID 67628391

IUPACN-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide
SMILESCNC(=O)CC1C(C)=CC(C)=CC1(C)C
InChIInChI=1S/C13H21NO/c1-9-6-10(2)11(7-12(15)14-5)13(3,4)8-9/h6,8,11H,7H2,1-5H3,(H,14,15)
InChIKeyKJGMDMRGQQCMBD-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds2

About N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide

N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 67628391) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide
PubChem CID67628391
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide
SMILESCNC(=O)CC1C(C)=CC(C)=CC1(C)C
InChIInChI=1S/C13H21NO/c1-9-6-10(2)11(7-12(15)14-5)13(3,4)8-9/h6,8,11H,7H2,1-5H3,(H,14,15)
InChIKeyKJGMDMRGQQCMBD-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide (CID 67628391) is N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide is CNC(=O)CC1C(C)=CC(C)=CC1(C)C.
What is the InChIKey of N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is KJGMDMRGQQCMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9-6-10(2)11(7-12(15)14-5)13(3,4)8-9/h6,8,11H,7H2,1-5H3,(H,14,15).
What are the key properties of N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide?
N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 207.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 67628391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).