2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide

C20H31N3O3 — CID 110622638

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
SMILESCCN1CCN(C(C)(C)CNC(=O)Cc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C20H31N3O3/c1-4-22-7-9-23(10-8-22)20(2,3)15-21-19(24)14-16-5-6-17-18(13-16)26-12-11-25-17/h5-6,13H,4,7-12,14-15H2,1-3H3,(H,21,24)
InChIKeyDGFPOKRUYHOUHL-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.53
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide (PubChem CID 110622638) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
PubChem CID110622638
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
SMILESCCN1CCN(C(C)(C)CNC(=O)Cc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C20H31N3O3/c1-4-22-7-9-23(10-8-22)20(2,3)15-21-19(24)14-16-5-6-17-18(13-16)26-12-11-25-17/h5-6,13H,4,7-12,14-15H2,1-3H3,(H,21,24)
InChIKeyDGFPOKRUYHOUHL-UHFFFAOYSA-N
XLogP1.53
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-phenylpropanamide
CID 112504915
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-ynylacetamide
CID 18109939
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960867
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]acetamide
CID 60568533
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 86945221
3-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]propanamide
CID 110414094
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-2-methylpropanoic acid
CID 75417912
N-[2-(diethylamino)propyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110620316
3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
CID 112504907
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111274523
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
CID 51590240
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxypropyl)acetamide
CID 92670427

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide (CID 110622638) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide is CCN1CCN(C(C)(C)CNC(=O)Cc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide?
The InChIKey is DGFPOKRUYHOUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-22-7-9-23(10-8-22)20(2,3)15-21-19(24)14-16-5-6-17-18(13-16)26-12-11-25-17/h5-6,13H,4,7-12,14-15H2,1-3H3,(H,21,24).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide is sourced from PubChem (CID 110622638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).