2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide

C17H23NO6 — CID 100741381

IUPAC2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NCC1(OCCO)CCOCC1
InChIInChI=1S/C17H23NO6/c19-5-8-24-17(3-6-21-7-4-17)11-18-16(20)10-13-1-2-14-15(9-13)23-12-22-14/h1-2,9,19H,3-8,10-12H2,(H,18,20)
InChIKeyPVJVZVJKWPFORJ-UHFFFAOYSA-N
MW337.37 g/mol
LogP0.63
Rot. Bonds7

About 2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide (PubChem CID 100741381) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide
PubChem CID100741381
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NCC1(OCCO)CCOCC1
InChIInChI=1S/C17H23NO6/c19-5-8-24-17(3-6-21-7-4-17)11-18-16(20)10-13-1-2-14-15(9-13)23-12-22-14/h1-2,9,19H,3-8,10-12H2,(H,18,20)
InChIKeyPVJVZVJKWPFORJ-UHFFFAOYSA-N
XLogP0.63
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]urea
CID 131703981
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide
CID 115271331
N'-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)thian-4-yl]methyl]oxamide
CID 131704013
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]acetic acid
CID 82291803
3-(1,3-benzodioxol-5-yl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114750923
2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120892133
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxypropyl)acetamide
CID 92670427
1-[[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544014
3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 91954466
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 91640664
2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
3-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]propanamide
CID 119303789

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide (CID 100741381) is 2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide is O=C(Cc1ccc2c(c1)OCO2)NCC1(OCCO)CCOCC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide?
The InChIKey is PVJVZVJKWPFORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c19-5-8-24-17(3-6-21-7-4-17)11-18-16(20)10-13-1-2-14-15(9-13)23-12-22-14/h1-2,9,19H,3-8,10-12H2,(H,18,20).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide has a molecular weight of 337.37 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[[4-(2-hydroxyethoxy)oxan-4-yl]methyl]acetamide is sourced from PubChem (CID 100741381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).