N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide

C12H19NO3 — CID 151748135

IUPACN-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
SMILESCOC1(OC)C=C(C)C=CC1N(C)C(C)=O
InChIInChI=1S/C12H19NO3/c1-9-6-7-11(13(3)10(2)14)12(8-9,15-4)16-5/h6-8,11H,1-5H3
InChIKeyRNYFWBSLZWJXKR-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.34
Rot. Bonds3

About N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide

N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide (PubChem CID 151748135) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
PubChem CID151748135
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
SMILESCOC1(OC)C=C(C)C=CC1N(C)C(C)=O
InChIInChI=1S/C12H19NO3/c1-9-6-7-11(13(3)10(2)14)12(8-9,15-4)16-5/h6-8,11H,1-5H3
InChIKeyRNYFWBSLZWJXKR-UHFFFAOYSA-N
XLogP1.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-4,6-dimethylcyclohexa-2,4-diene-1-carboxylic acid
CID 70082463
1,3,6-trimethylcyclohexa-2,4-diene-1-carbaldehyde
CID 175145717
methyl (4aR,8aR)-6,7-dimethyl-1-oxo-4a,5,8,8a-tetrahydro-2H-isoquinoline-3-carboxylate
CID 10681256
6-methoxy-3-methylcyclohexa-2,4-dien-1-ol
CID 89265152
4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol
CID 169096029
methyl 4,6-dimethoxy-6-prop-1-en-2-ylcyclohexa-2,4-diene-1-carboxylate
CID 66681803
1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone
CID 139438563
cyclohexa-2,5-diene-1,4-dione;1,2-dimethoxy-5-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 175284754
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
N-methyl-N-(3-methylidenecyclohexyl)acetamide
CID 90986487
N-(1-hydroxy-2,2-dimethylpiperidin-4-yl)-N-methylacetamide
CID 142013410
1,3-dimethyl-6-pentan-3-yloxycarbonylcyclohexa-2,4-diene-1-carboxylic acid
CID 175361497

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
The IUPAC name of N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide (CID 151748135) is N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
The canonical SMILES for N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide is COC1(OC)C=C(C)C=CC1N(C)C(C)=O.
What is the InChIKey of N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
The InChIKey is RNYFWBSLZWJXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-6-7-11(13(3)10(2)14)12(8-9,15-4)16-5/h6-8,11H,1-5H3.
What are the key properties of N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide has a molecular weight of 225.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethoxy-4-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide is sourced from PubChem (CID 151748135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).