N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C20H23NO4 — CID 8712725

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NCc2ccc3c(c2)OCO3)ccc1C(C)C
InChIInChI=1S/C20H23NO4/c1-13(2)17-6-5-16(8-14(17)3)23-11-20(22)21-10-15-4-7-18-19(9-15)25-12-24-18/h4-9,13H,10-12H2,1-3H3,(H,21,22)
InChIKeyDSRRLKNVDKXISW-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.54
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 8712725) 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-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID8712725
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NCc2ccc3c(c2)OCO3)ccc1C(C)C
InChIInChI=1S/C20H23NO4/c1-13(2)17-6-5-16(8-14(17)3)23-11-20(22)21-10-15-4-7-18-19(9-15)25-12-24-18/h4-9,13H,10-12H2,1-3H3,(H,21,22)
InChIKeyDSRRLKNVDKXISW-UHFFFAOYSA-N
XLogP3.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 46590053
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 2207036
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 30715668
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 1241923
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetate
CID 35990215
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 2566489
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide
CID 26678252
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 2582175
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclohexylphenoxy)acetamide
CID 1128081
2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide
CID 3163479
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8985042

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 8712725) is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)NCc2ccc3c(c2)OCO3)ccc1C(C)C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is DSRRLKNVDKXISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(2)17-6-5-16(8-14(17)3)23-11-20(22)21-10-15-4-7-18-19(9-15)25-12-24-18/h4-9,13H,10-12H2,1-3H3,(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.54, 6 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-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 8712725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).