N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide

C19H28N2O4 — CID 2561217

IUPACN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)C2CCCC2)cc1OCC
InChIInChI=1S/C19H28N2O4/c1-4-24-16-11-10-15(12-17(16)25-5-2)20-18(22)13-21(3)19(23)14-8-6-7-9-14/h10-12,14H,4-9,13H2,1-3H3,(H,20,22)
InChIKeyNTATYXAOHMXAFN-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.07
Rot. Bonds8

About N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide

N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide (PubChem CID 2561217) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
PubChem CID2561217
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)C2CCCC2)cc1OCC
InChIInChI=1S/C19H28N2O4/c1-4-24-16-11-10-15(12-17(16)25-5-2)20-18(22)13-21(3)19(23)14-8-6-7-9-14/h10-12,14H,4-9,13H2,1-3H3,(H,20,22)
InChIKeyNTATYXAOHMXAFN-UHFFFAOYSA-N
XLogP3.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
The IUPAC name of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide (CID 2561217) is N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide is CCOc1ccc(NC(=O)CN(C)C(=O)C2CCCC2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
The InChIKey is NTATYXAOHMXAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-24-16-11-10-15(12-17(16)25-5-2)20-18(22)13-21(3)19(23)14-8-6-7-9-14/h10-12,14H,4-9,13H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide has a molecular weight of 348.44 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide is sourced from PubChem (CID 2561217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).