2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide

C22H19NO4 — CID 112978300

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide
SMILESO=C(COc1ccc2c(c1)OCO2)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO4/c24-22(15-25-19-11-12-20-21(13-19)27-16-26-20)23(18-9-5-2-6-10-18)14-17-7-3-1-4-8-17/h1-13H,14-16H2
InChIKeyHMWYMTQHXADJET-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.03
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide

2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide (PubChem CID 112978300) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide
PubChem CID112978300
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide
SMILESO=C(COc1ccc2c(c1)OCO2)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO4/c24-22(15-25-19-11-12-20-21(13-19)27-16-26-20)23(18-9-5-2-6-10-18)14-17-7-3-1-4-8-17/h1-13H,14-16H2
InChIKeyHMWYMTQHXADJET-UHFFFAOYSA-N
XLogP4.03
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide
CID 17310206
N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
CID 112977258
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
3-(1,3-benzodioxol-5-ylamino)-N-benzyl-N-phenylpropanamide
CID 109041955
N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylacetamide
CID 47019658
N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
CID 41161693
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-phenyloxamide
CID 108528257
2-amino-N-benzyl-N-[3-[2-(N-methylanilino)-2-oxoethoxy]phenyl]acetamide
CID 10573232
2-(1,3-benzodioxol-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 67516345
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 42724435
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide (CID 112978300) is 2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide is O=C(COc1ccc2c(c1)OCO2)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide?
The InChIKey is HMWYMTQHXADJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-22(15-25-19-11-12-20-21(13-19)27-16-26-20)23(18-9-5-2-6-10-18)14-17-7-3-1-4-8-17/h1-13H,14-16H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide?
2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide has a molecular weight of 361.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide is sourced from PubChem (CID 112978300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).