2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide

C20H28N2O3 — CID 4879844

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)CC1CC2CCC1C2
InChIInChI=1S/C20H28N2O3/c1-3-22(20(24)12-16-11-14-8-9-15(16)10-14)13-19(23)21-17-6-4-5-7-18(17)25-2/h4-7,14-16H,3,8-13H2,1-2H3,(H,21,23)
InChIKeyLYARPQOCUIPEJZ-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.31
Rot. Bonds7

About 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide (PubChem CID 4879844) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
PubChem CID4879844
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)CC1CC2CCC1C2
InChIInChI=1S/C20H28N2O3/c1-3-22(20(24)12-16-11-14-8-9-15(16)10-14)13-19(23)21-17-6-4-5-7-18(17)25-2/h4-7,14-16H,3,8-13H2,1-2H3,(H,21,23)
InChIKeyLYARPQOCUIPEJZ-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide (CID 4879844) is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide?
The InChIKey is LYARPQOCUIPEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-22(20(24)12-16-11-14-8-9-15(16)10-14)13-19(23)21-17-6-4-5-7-18(17)25-2/h4-7,14-16H,3,8-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide has a molecular weight of 344.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 4879844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).