N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide

C17H24N2O3 — CID 2450020

IUPACN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCCC1
InChIInChI=1S/C17H24N2O3/c1-3-19(17(21)13-8-4-5-9-13)12-16(20)18-14-10-6-7-11-15(14)22-2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,20)
InChIKeyKJGJZROJTGUPNS-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.67
Rot. Bonds6

About N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide

N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 2450020) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide
PubChem CID2450020
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCCC1
InChIInChI=1S/C17H24N2O3/c1-3-19(17(21)13-8-4-5-9-13)12-16(20)18-14-10-6-7-11-15(14)22-2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,20)
InChIKeyKJGJZROJTGUPNS-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide (CID 2450020) is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCCC1.
What is the InChIKey of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is KJGJZROJTGUPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-19(17(21)13-8-4-5-9-13)12-16(20)18-14-10-6-7-11-15(14)22-2/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,20).
What are the key properties of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide?
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 2450020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).