N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide

C10H15NO2 — CID 142367603

IUPACN-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
SMILESCNC(=O)COC1=CCC(C)C=C1
InChIInChI=1S/C10H15NO2/c1-8-3-5-9(6-4-8)13-7-10(12)11-2/h3,5-6,8H,4,7H2,1-2H3,(H,11,12)
InChIKeyAVQKPNPYGQCXCX-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.23
Rot. Bonds3

About N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide

N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide (PubChem CID 142367603) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
PubChem CID142367603
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
SMILESCNC(=O)COC1=CCC(C)C=C1
InChIInChI=1S/C10H15NO2/c1-8-3-5-9(6-4-8)13-7-10(12)11-2/h3,5-6,8H,4,7H2,1-2H3,(H,11,12)
InChIKeyAVQKPNPYGQCXCX-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
The IUPAC name of N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide (CID 142367603) is N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide.
What is the SMILES notation for N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
The canonical SMILES for N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide is CNC(=O)COC1=CCC(C)C=C1.
What is the InChIKey of N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
The InChIKey is AVQKPNPYGQCXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-3-5-9(6-4-8)13-7-10(12)11-2/h3,5-6,8H,4,7H2,1-2H3,(H,11,12).
What are the key properties of N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide has a molecular weight of 181.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide is sourced from PubChem (CID 142367603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).