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

C12H21NO2 — CID 143883154

IUPACethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
SMILESCC.CNC(=O)COC1=CCCC(C)=C1
InChIInChI=1S/C10H15NO2.C2H6/c1-8-4-3-5-9(6-8)13-7-10(12)11-2;1-2/h5-6H,3-4,7H2,1-2H3,(H,11,12);1-2H3
InChIKeyRDDLKSFFRKPEDV-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.40
Rot. Bonds3

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

ethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide (PubChem CID 143883154) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
PubChem CID143883154
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
SMILESCC.CNC(=O)COC1=CCCC(C)=C1
InChIInChI=1S/C10H15NO2.C2H6/c1-8-4-3-5-9(6-8)13-7-10(12)11-2;1-2/h5-6H,3-4,7H2,1-2H3,(H,11,12);1-2H3
InChIKeyRDDLKSFFRKPEDV-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
The IUPAC name of ethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide (CID 143883154) is ethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide.
What is the SMILES notation for ethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
The canonical SMILES for ethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide is CC.CNC(=O)COC1=CCCC(C)=C1.
What is the InChIKey of ethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
The InChIKey is RDDLKSFFRKPEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C2H6/c1-8-4-3-5-9(6-8)13-7-10(12)11-2;1-2/h5-6H,3-4,7H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
ethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide has a molecular weight of 211.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide is sourced from PubChem (CID 143883154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).