2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide

C13H21NO2 — CID 20718410

IUPAC2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide
SMILESCOCC(=O)N(C)C1=CC(C)(C)CC(C)=C1
InChIInChI=1S/C13H21NO2/c1-10-6-11(8-13(2,3)7-10)14(4)12(15)9-16-5/h6,8H,7,9H2,1-5H3
InChIKeyMHYKKKXUNLLACW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.35
Rot. Bonds3

About 2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide

2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 20718410) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide
PubChem CID20718410
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide
SMILESCOCC(=O)N(C)C1=CC(C)(C)CC(C)=C1
InChIInChI=1S/C13H21NO2/c1-10-6-11(8-13(2,3)7-10)14(4)12(15)9-16-5/h6,8H,7,9H2,1-5H3
InChIKeyMHYKKKXUNLLACW-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-hydroxy-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide
CID 11287512
2-Acetoxy-N-ethyl-N-(3,3,5-trimethyl-cyclohexa-1,5-dienyl)-acetamide
CID 11288559
2-methoxy-N-methyl-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide
CID 20718412
2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide
CID 144107113
ethane;2-methoxy-N-methyl-N-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]acetamide
CID 144607422
1-[(6S)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone
CID 146762246
1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone
CID 146762247
1-(5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone
CID 146762248
iodomethane;2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide
CID 160359400
iodomethane;2-methoxy-N-methyl-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide
CID 161623954
iodomethane;2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide;2-methoxy-N-methyl-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide
CID 162141552

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of 2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide (CID 20718410) is 2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for 2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide is COCC(=O)N(C)C1=CC(C)(C)CC(C)=C1.
What is the InChIKey of 2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is MHYKKKXUNLLACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-6-11(8-13(2,3)7-10)14(4)12(15)9-16-5/h6,8H,7,9H2,1-5H3.
What are the key properties of 2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide?
2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 20718410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).