2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone

C16H24N2O3 — CID 28573510

IUPAC2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone
SMILESCCOc1ccc(OCC)c(NCC(=O)N2CCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-3-20-13-7-8-15(21-4-2)14(11-13)17-12-16(19)18-9-5-6-10-18/h7-8,11,17H,3-6,9-10,12H2,1-2H3
InChIKeyLOLRKLNPUOZHBX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.52
Rot. Bonds7

About 2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone

2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone (PubChem CID 28573510) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone
PubChem CID28573510
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone
SMILESCCOc1ccc(OCC)c(NCC(=O)N2CCCC2)c1
InChIInChI=1S/C16H24N2O3/c1-3-20-13-7-8-15(21-4-2)14(11-13)17-12-16(19)18-9-5-6-10-18/h7-8,11,17H,3-6,9-10,12H2,1-2H3
InChIKeyLOLRKLNPUOZHBX-UHFFFAOYSA-N
XLogP2.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide
CID 115581858
2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
CID 113405856
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28575998
2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone
CID 62401443
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
2-(2,5-diethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 60693732
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47749828
2-(3-ethoxy-4-nitroanilino)-1-pyrrolidin-1-ylethanone
CID 115669367
4-(2,5-diethoxyanilino)butanoic acid
CID 18071438
2-(2-amino-5-ethoxyphenyl)sulfanyl-1-piperidin-1-ylethanone
CID 79526927
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone (CID 28573510) is 2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone is CCOc1ccc(OCC)c(NCC(=O)N2CCCC2)c1.
What is the InChIKey of 2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone?
The InChIKey is LOLRKLNPUOZHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-20-13-7-8-15(21-4-2)14(11-13)17-12-16(19)18-9-5-6-10-18/h7-8,11,17H,3-6,9-10,12H2,1-2H3.
What are the key properties of 2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone?
2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone has a molecular weight of 292.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 28573510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).