N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide

C21H17NO4 — CID 31483361

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)Cc1ccc3ccccc3c1)OCO2
InChIInChI=1S/C21H17NO4/c1-13(23)17-10-19-20(26-12-25-19)11-18(17)22-21(24)9-14-6-7-15-4-2-3-5-16(15)8-14/h2-8,10-11H,9,12H2,1H3,(H,22,24)
InChIKeyVIKUGGAKMSQNPF-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.95
Rot. Bonds4

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide (PubChem CID 31483361) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide
PubChem CID31483361
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)Cc1ccc3ccccc3c1)OCO2
InChIInChI=1S/C21H17NO4/c1-13(23)17-10-19-20(26-12-25-19)11-18(17)22-21(24)9-14-6-7-15-4-2-3-5-16(15)8-14/h2-8,10-11H,9,12H2,1H3,(H,22,24)
InChIKeyVIKUGGAKMSQNPF-UHFFFAOYSA-N
XLogP3.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide
CID 18076767
N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31483302
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-benzylsulfanylacetamide
CID 7784900
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054302
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-phenylbutanamide
CID 46797259
(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 9115796
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 146380030
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide
CID 9345383
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-benzhydrylazanium
CID 8545731
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191759
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-chlorophenyl)sulfanylacetamide
CID 7950491
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132723

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide (CID 31483361) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide is CC(=O)c1cc2c(cc1NC(=O)Cc1ccc3ccccc3c1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide?
The InChIKey is VIKUGGAKMSQNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-13(23)17-10-19-20(26-12-25-19)11-18(17)22-21(24)9-14-6-7-15-4-2-3-5-16(15)8-14/h2-8,10-11H,9,12H2,1H3,(H,22,24).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide has a molecular weight of 347.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 31483361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).