2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide

C19H26N2O4 — CID 2464094

IUPAC2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CC1CCCC1
InChIInChI=1S/C19H26N2O4/c1-2-21(19(23)11-14-5-3-4-6-14)13-18(22)20-15-7-8-16-17(12-15)25-10-9-24-16/h7-8,12,14H,2-6,9-11,13H2,1H3,(H,20,22)
InChIKeyYUCDGIXPZSNHND-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.83
Rot. Bonds6

About 2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide

2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide (PubChem CID 2464094) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide
PubChem CID2464094
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CC1CCCC1
InChIInChI=1S/C19H26N2O4/c1-2-21(19(23)11-14-5-3-4-6-14)13-18(22)20-15-7-8-16-17(12-15)25-10-9-24-16/h7-8,12,14H,2-6,9-11,13H2,1H3,(H,20,22)
InChIKeyYUCDGIXPZSNHND-UHFFFAOYSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexanecarboxylic acid {2-[4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazin-1-yl-]ethyl}-amide
CID 9799670
CeMMEC13
CID 110694558
2-(5-butoxy-1-oxo-2-isoquinolinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 23640021
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 3240990
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2332755
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 11948728
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 1534538
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 2561217
N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-N'-(2-phenylethyl)ethane-1,2-diamide
CID 3154023
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 3365341
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 4430991
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4591414

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide (CID 2464094) is 2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide?
The InChIKey is YUCDGIXPZSNHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-2-21(19(23)11-14-5-3-4-6-14)13-18(22)20-15-7-8-16-17(12-15)25-10-9-24-16/h7-8,12,14H,2-6,9-11,13H2,1H3,(H,20,22).
What are the key properties of 2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide?
2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide has a molecular weight of 346.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylacetamide is sourced from PubChem (CID 2464094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).