2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide

C21H23NO4 — CID 171132856

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H23NO4/c23-20(13-24-17-8-9-18-19(12-17)26-15-25-18)22-14-21(10-4-5-11-21)16-6-2-1-3-7-16/h1-3,6-9,12H,4-5,10-11,13-15H2,(H,22,23)
InChIKeyGSQQEIAEHMDRNX-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.42
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide

2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide (PubChem CID 171132856) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
PubChem CID171132856
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C21H23NO4/c23-20(13-24-17-8-9-18-19(12-17)26-15-25-18)22-14-21(10-4-5-11-21)16-6-2-1-3-7-16/h1-3,6-9,12H,4-5,10-11,13-15H2,(H,22,23)
InChIKeyGSQQEIAEHMDRNX-UHFFFAOYSA-N
XLogP3.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 46405004
2-(4-cyanophenoxy)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 17437937
2-(1,3-benzodioxol-5-yloxy)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]acetamide
CID 91957323
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 55470208
2-(2-phenoxyethoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 55759227
2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
CID 119303765
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenoxy]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 166355790
methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate
CID 134038073
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 60578167

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide (CID 171132856) is 2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide is O=C(COc1ccc2c(c1)OCO2)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide?
The InChIKey is GSQQEIAEHMDRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-20(13-24-17-8-9-18-19(12-17)26-15-25-18)22-14-21(10-4-5-11-21)16-6-2-1-3-7-16/h1-3,6-9,12H,4-5,10-11,13-15H2,(H,22,23).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 171132856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).