N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

C20H19NO5 — CID 4802367

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)COc1ccc3c(c1)CCC3)OCO2
InChIInChI=1S/C20H19NO5/c1-12(22)16-8-18-19(26-11-25-18)9-17(16)21-20(23)10-24-15-6-5-13-3-2-4-14(13)7-15/h5-9H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyARALWONHNVJFQC-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.12
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (PubChem CID 4802367) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
PubChem CID4802367
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)COc1ccc3c(c1)CCC3)OCO2
InChIInChI=1S/C20H19NO5/c1-12(22)16-8-18-19(26-11-25-18)9-17(16)21-20(23)10-24-15-6-5-13-3-2-4-14(13)7-15/h5-9H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyARALWONHNVJFQC-UHFFFAOYSA-N
XLogP3.12
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536503
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7715103
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 2709578
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CID 7744175
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CID 18170352
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 146380030
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CID 18170344
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-tert-butylphenoxy)acetamide
CID 32996399
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(4-methylphenoxy)butanamide
CID 18076867
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-bromo-4-fluorophenoxy)acetamide
CID 29242319
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Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (CID 4802367) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is CC(=O)c1cc2c(cc1NC(=O)COc1ccc3c(c1)CCC3)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The InChIKey is ARALWONHNVJFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-12(22)16-8-18-19(26-11-25-18)9-17(16)21-20(23)10-24-15-6-5-13-3-2-4-14(13)7-15/h5-9H,2-4,10-11H2,1H3,(H,21,23).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide has a molecular weight of 353.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is sourced from PubChem (CID 4802367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).