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

C20H23NO4 — CID 721824

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H23NO4/c1-20(2,3)15-5-7-16(8-6-15)23-12-19(22)21-11-14-4-9-17-18(10-14)25-13-24-17/h4-10H,11-13H2,1-3H3,(H,21,22)
InChIKeyWHGVDKPPZAMWAF-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.41
Rot. Bonds5

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

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide (PubChem CID 721824) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
PubChem CID721824
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H23NO4/c1-20(2,3)15-5-7-16(8-6-15)23-12-19(22)21-11-14-4-9-17-18(10-14)25-13-24-17/h4-10H,11-13H2,1-3H3,(H,21,22)
InChIKeyWHGVDKPPZAMWAF-UHFFFAOYSA-N
XLogP3.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 27761157
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8985042
1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-tert-butylphenoxy)propanoylamino]thiourea
CID 24637370
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylanilino)acetamide
CID 108998839
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclohexylphenoxy)acetamide
CID 1128081
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)-4-tert-butylbenzamide
CID 673797
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)propanamide
CID 4615514
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 8712725
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 1190323
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53112175
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 2207036

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide (CID 721824) is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide is CC(C)(C)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is WHGVDKPPZAMWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-20(2,3)15-5-7-16(8-6-15)23-12-19(22)21-11-14-4-9-17-18(10-14)25-13-24-17/h4-10H,11-13H2,1-3H3,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.41, 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-tert-butylphenoxy)acetamide is sourced from PubChem (CID 721824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).