2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

C17H24N2O3 — CID 25162812

IUPAC2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CC2CCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-19(17(21)10-13-6-3-4-7-13)12-16(20)18-14-8-5-9-15(11-14)22-2/h5,8-9,11,13H,3-4,6-7,10,12H2,1-2H3,(H,18,20)
InChIKeyDXVCFDOURYRABN-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.67
Rot. Bonds6

About 2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 25162812) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID25162812
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CC2CCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-19(17(21)10-13-6-3-4-7-13)12-16(20)18-14-8-5-9-15(11-14)22-2/h5,8-9,11,13H,3-4,6-7,10,12H2,1-2H3,(H,18,20)
InChIKeyDXVCFDOURYRABN-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 2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (CID 25162812) is 2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is COc1cccc(NC(=O)CN(C)C(=O)CC2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is DXVCFDOURYRABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19(17(21)10-13-6-3-4-7-13)12-16(20)18-14-8-5-9-15(11-14)22-2/h5,8-9,11,13H,3-4,6-7,10,12H2,1-2H3,(H,18,20).
What are the key properties of 2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide 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 2-cyclopentyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 25162812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).