N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide

C23H22N2O6 — CID 43822158

IUPACN-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide
SMILESO=C1CC(c2ccc3c(c2)OCO3)N1C1(C(=O)Nc2ccc3c(c2)OCO3)CCCC1
InChIInChI=1S/C23H22N2O6/c26-21-11-16(14-3-5-17-19(9-14)30-12-28-17)25(21)23(7-1-2-8-23)22(27)24-15-4-6-18-20(10-15)31-13-29-18/h3-6,9-10,16H,1-2,7-8,11-13H2,(H,24,27)
InChIKeyBCMYPKXPJDOQGO-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.37
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide (PubChem CID 43822158) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide
PubChem CID43822158
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide
SMILESO=C1CC(c2ccc3c(c2)OCO3)N1C1(C(=O)Nc2ccc3c(c2)OCO3)CCCC1
InChIInChI=1S/C23H22N2O6/c26-21-11-16(14-3-5-17-19(9-14)30-12-28-17)25(21)23(7-1-2-8-23)22(27)24-15-4-6-18-20(10-15)31-13-29-18/h3-6,9-10,16H,1-2,7-8,11-13H2,(H,24,27)
InChIKeyBCMYPKXPJDOQGO-UHFFFAOYSA-N
XLogP3.37
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide
CID 43822157
N-(1,3-benzodioxol-5-yl)-4-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]thiane-4-carboxamide
CID 1495312
4-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]-N-[4-(dimethylamino)phenyl]thiane-4-carboxamide
CID 1493716
N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide
CID 1493626
N-(1,3-benzodioxol-5-yl)-1-cyanocyclohexane-1-carboxamide
CID 61459502
N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 9403547
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 40846595
N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide
CID 50945546
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51694842
1-N'-(1,3-benzodioxol-5-yl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974870
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946008
2-(1,3-benzodioxol-5-yl)-N-thiophen-3-ylpyrrolidine-1-carboxamide
CID 126777607

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide (CID 43822158) is N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide is O=C1CC(c2ccc3c(c2)OCO3)N1C1(C(=O)Nc2ccc3c(c2)OCO3)CCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide?
The InChIKey is BCMYPKXPJDOQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c26-21-11-16(14-3-5-17-19(9-14)30-12-28-17)25(21)23(7-1-2-8-23)22(27)24-15-4-6-18-20(10-15)31-13-29-18/h3-6,9-10,16H,1-2,7-8,11-13H2,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 43822158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).