N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide

C20H18N2O6 — CID 7993369

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1cc2c(cc1C(C)=O)OCO2
InChIInChI=1S/C20H18N2O6/c1-3-25-17-6-13(9-21)4-5-16(17)26-10-20(24)22-15-8-19-18(27-11-28-19)7-14(15)12(2)23/h4-8H,3,10-11H2,1-2H3,(H,22,24)
InChIKeyQFOSSUVVJKWQHC-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.91
Rot. Bonds7

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide (PubChem CID 7993369) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
PubChem CID7993369
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1cc2c(cc1C(C)=O)OCO2
InChIInChI=1S/C20H18N2O6/c1-3-25-17-6-13(9-21)4-5-16(17)26-10-20(24)22-15-8-19-18(27-11-28-19)7-14(15)12(2)23/h4-8H,3,10-11H2,1-2H3,(H,22,24)
InChIKeyQFOSSUVVJKWQHC-UHFFFAOYSA-N
XLogP2.91
TPSA106.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18170344
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 18170352
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-bromo-4-fluorophenoxy)acetamide
CID 29242319
2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7992848
2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 7993287
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-tert-butylphenoxy)acetamide
CID 32996399
N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993139
N-(2-chloro-3-pyridinyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7992846
N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 46421737
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide
CID 7924582
2-(4-cyano-2-ethoxyphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 86925041
7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
CID 9267028

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide (CID 7993369) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide is CCOc1cc(C#N)ccc1OCC(=O)Nc1cc2c(cc1C(C)=O)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
The InChIKey is QFOSSUVVJKWQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-3-25-17-6-13(9-21)4-5-16(17)26-10-20(24)22-15-8-19-18(27-11-28-19)7-14(15)12(2)23/h4-8H,3,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide has a molecular weight of 382.37 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 7993369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).