N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide

C11H17NO2 — CID 89049356

IUPACN-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCOCCNC(=O)C1=C(C)C=CCC1
InChIInChI=1S/C11H17NO2/c1-9-5-3-4-6-10(9)11(13)12-7-8-14-2/h3,5H,4,6-8H2,1-2H3,(H,12,13)
InChIKeyWSYCRFGXGBTKLJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.42
Rot. Bonds4

About N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide

N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 89049356) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID89049356
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCOCCNC(=O)C1=C(C)C=CCC1
InChIInChI=1S/C11H17NO2/c1-9-5-3-4-6-10(9)11(13)12-7-8-14-2/h3,5H,4,6-8H2,1-2H3,(H,12,13)
InChIKeyWSYCRFGXGBTKLJ-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide (CID 89049356) is N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide is COCCNC(=O)C1=C(C)C=CCC1.
What is the InChIKey of N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is WSYCRFGXGBTKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-5-3-4-6-10(9)11(13)12-7-8-14-2/h3,5H,4,6-8H2,1-2H3,(H,12,13).
What are the key properties of N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide?
N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 89049356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).