N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide

C20H22BrNO4 — CID 1190323

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22BrNO4/c1-20(2,3)15-9-14(21)5-7-16(15)24-11-19(23)22-10-13-4-6-17-18(8-13)26-12-25-17/h4-9H,10-12H2,1-3H3,(H,22,23)
InChIKeyWLINADHTBIVENA-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.17
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide (PubChem CID 1190323) has the molecular formula C20H22BrNO4 and a molecular weight of 420.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
PubChem CID1190323
Molecular FormulaC20H22BrNO4
Molecular Weight420.30 g/mol
Exact Mass419.07
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H22BrNO4/c1-20(2,3)15-9-14(21)5-7-16(15)24-11-19(23)22-10-13-4-6-17-18(8-13)26-12-25-17/h4-9H,10-12H2,1-3H3,(H,22,23)
InChIKeyWLINADHTBIVENA-UHFFFAOYSA-N
XLogP4.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 2582175
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194203
2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7721428
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 30715668
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
CID 56783337
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112992842
N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethylbutanamide
CID 670795
2-(4-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 27761157
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2563855
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108947214
2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7981672

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide (CID 1190323) is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide is CC(C)(C)c1cc(Br)ccc1OCC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide?
The InChIKey is WLINADHTBIVENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO4/c1-20(2,3)15-9-14(21)5-7-16(15)24-11-19(23)22-10-13-4-6-17-18(8-13)26-12-25-17/h4-9H,10-12H2,1-3H3,(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide has a molecular weight of 420.30 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide is sourced from PubChem (CID 1190323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).