N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide

C16H23NO3 — CID 86976342

IUPACN-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
SMILESCCCCN(CC)C(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23NO3/c1-3-5-8-17(4-2)16(18)12-13-6-7-14-15(11-13)20-10-9-19-14/h6-7,11H,3-5,8-10,12H2,1-2H3
InChIKeyMTJOHVMISBWOHD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.65
Rot. Bonds6

About N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide

N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide (PubChem CID 86976342) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
PubChem CID86976342
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
SMILESCCCCN(CC)C(=O)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23NO3/c1-3-5-8-17(4-2)16(18)12-13-6-7-14-15(11-13)20-10-9-19-14/h6-7,11H,3-5,8-10,12H2,1-2H3
InChIKeyMTJOHVMISBWOHD-UHFFFAOYSA-N
XLogP2.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 86978444
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
CID 55594554
N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide
CID 9167348
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-methylamino]acetic acid
CID 82486581
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 25496038
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
CID 18190703
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 60925597
2-[[2-(1,3-benzodioxol-5-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346796
2-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]acetic acid
CID 119196809
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 78811641
14-octadecyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102066946

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide?
The IUPAC name of N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide (CID 86976342) is N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide.
What is the SMILES notation for N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide?
The canonical SMILES for N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide is CCCCN(CC)C(=O)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide?
The InChIKey is MTJOHVMISBWOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-5-8-17(4-2)16(18)12-13-6-7-14-15(11-13)20-10-9-19-14/h6-7,11H,3-5,8-10,12H2,1-2H3.
What are the key properties of N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide?
N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide is sourced from PubChem (CID 86976342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).