2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one

C16H23NO — CID 79570131

IUPAC2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one
SMILESCCN(CCC1CCCC1=O)c1ccccc1C
InChIInChI=1S/C16H23NO/c1-3-17(15-9-5-4-7-13(15)2)12-11-14-8-6-10-16(14)18/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3
InChIKeyXPDIBMZTKGHAHB-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.58
Rot. Bonds5

About 2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one

2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one (PubChem CID 79570131) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one
PubChem CID79570131
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one
SMILESCCN(CCC1CCCC1=O)c1ccccc1C
InChIInChI=1S/C16H23NO/c1-3-17(15-9-5-4-7-13(15)2)12-11-14-8-6-10-16(14)18/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3
InChIKeyXPDIBMZTKGHAHB-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one (CID 79570131) is 2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one is CCN(CCC1CCCC1=O)c1ccccc1C.
What is the InChIKey of 2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one?
The InChIKey is XPDIBMZTKGHAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-17(15-9-5-4-7-13(15)2)12-11-14-8-6-10-16(14)18/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3.
What are the key properties of 2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one?
2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-ethyl-2-methylanilino)ethyl]cyclopentan-1-one is sourced from PubChem (CID 79570131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).