N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide

C17H23NO2 — CID 59379799

IUPACN-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide
SMILESCON(C)C(=O)C12CCC(c3ccccc3)(CC1)CC2
InChIInChI=1S/C17H23NO2/c1-18(20-2)15(19)17-11-8-16(9-12-17,10-13-17)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyAQHVYCFQYNTPLN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.30
Rot. Bonds3

About N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide

N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide (PubChem CID 59379799) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide
PubChem CID59379799
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide
SMILESCON(C)C(=O)C12CCC(c3ccccc3)(CC1)CC2
InChIInChI=1S/C17H23NO2/c1-18(20-2)15(19)17-11-8-16(9-12-17,10-13-17)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyAQHVYCFQYNTPLN-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide?
The IUPAC name of N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide (CID 59379799) is N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide is CON(C)C(=O)C12CCC(c3ccccc3)(CC1)CC2.
What is the InChIKey of N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide?
The InChIKey is AQHVYCFQYNTPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18(20-2)15(19)17-11-8-16(9-12-17,10-13-17)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide?
N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-phenylbicyclo[2.2.2]octane-1-carboxamide is sourced from PubChem (CID 59379799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).