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

C11H17NO2 — CID 129195659

IUPAC2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1(C)C=CC(OC)=CC1
InChIInChI=1S/C11H17NO2/c1-11(8-10(13)12-2)6-4-9(14-3)5-7-11/h4-6H,7-8H2,1-3H3,(H,12,13)
InChIKeyPSZVKXJARDHFSZ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.62
Rot. Bonds3

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

2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide (PubChem CID 129195659) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
PubChem CID129195659
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1(C)C=CC(OC)=CC1
InChIInChI=1S/C11H17NO2/c1-11(8-10(13)12-2)6-4-9(14-3)5-7-11/h4-6H,7-8H2,1-3H3,(H,12,13)
InChIKeyPSZVKXJARDHFSZ-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
The IUPAC name of 2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide (CID 129195659) is 2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide is CNC(=O)CC1(C)C=CC(OC)=CC1.
What is the InChIKey of 2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
The InChIKey is PSZVKXJARDHFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(8-10(13)12-2)6-4-9(14-3)5-7-11/h4-6H,7-8H2,1-3H3,(H,12,13).
What are the key properties of 2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide has a molecular weight of 195.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide is sourced from PubChem (CID 129195659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).