N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide

C17H23NO2 — CID 3606622

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C2CC3CCC2C3)cc1
InChIInChI=1S/C17H23NO2/c1-11(16-10-12-3-4-14(16)9-12)18-17(19)13-5-7-15(20-2)8-6-13/h5-8,11-12,14,16H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyZLNGXDSSZSWVEP-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.25
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide (PubChem CID 3606622) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide
PubChem CID3606622
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C2CC3CCC2C3)cc1
InChIInChI=1S/C17H23NO2/c1-11(16-10-12-3-4-14(16)9-12)18-17(19)13-5-7-15(20-2)8-6-13/h5-8,11-12,14,16H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyZLNGXDSSZSWVEP-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide (CID 3606622) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)C2CC3CCC2C3)cc1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide?
The InChIKey is ZLNGXDSSZSWVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(16-10-12-3-4-14(16)9-12)18-17(19)13-5-7-15(20-2)8-6-13/h5-8,11-12,14,16H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide has a molecular weight of 273.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 3606622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).