N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide

C25H29N3O4 — CID 1493626

IUPACN-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2(N3C(=O)C[C@@H]3c3ccc4c(c3)OCO4)CCCCC2)cc1
InChIInChI=1S/C25H29N3O4/c1-27(2)19-9-6-17(7-10-19)24(30)26-25(12-4-3-5-13-25)28-20(15-23(28)29)18-8-11-21-22(14-18)32-16-31-21/h6-11,14,20H,3-5,12-13,15-16H2,1-2H3,(H,26,30)/t20-/m1/s1
InChIKeyBZTXRIWCALTEKM-HXUWFJFHSA-N
MW435.52 g/mol
LogP3.85
Rot. Bonds5

About N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide

N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide (PubChem CID 1493626) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide
PubChem CID1493626
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2(N3C(=O)C[C@@H]3c3ccc4c(c3)OCO4)CCCCC2)cc1
InChIInChI=1S/C25H29N3O4/c1-27(2)19-9-6-17(7-10-19)24(30)26-25(12-4-3-5-13-25)28-20(15-23(28)29)18-8-11-21-22(14-18)32-16-31-21/h6-11,14,20H,3-5,12-13,15-16H2,1-2H3,(H,26,30)/t20-/m1/s1
InChIKeyBZTXRIWCALTEKM-HXUWFJFHSA-N
XLogP3.85
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide with MolForge

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Related Compounds

4-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]-N-[4-(dimethylamino)phenyl]thiane-4-carboxamide
CID 1493716
N-(1,3-benzodioxol-5-yl)-1-[2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide
CID 43822158
N-(1,3-benzodioxol-5-yl)-4-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]thiane-4-carboxamide
CID 1495312
N-(1,3-benzodioxol-5-yl)-1-[2-(4-fluorophenyl)-4-oxoazetidin-1-yl]cyclopentane-1-carboxamide
CID 43822157
1,3-benzodioxol-5-yl-[4-(dimethylamino)phenyl]methanone
CID 146006397
N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
CID 60966830
4-(1,3-benzodioxol-5-yl)-1-hydroxypyrrolidin-2-one
CID 18961179
dimethyl 2-(1,3-benzodioxol-5-yl)-4-oxocyclohexane-1,1-dicarboxylate
CID 4919197
N-(1-cyanocyclopentyl)-4-(dimethylamino)benzamide
CID 60704670
N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 113272407
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7496489
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 3238369

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide (CID 1493626) is N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NC2(N3C(=O)C[C@@H]3c3ccc4c(c3)OCO4)CCCCC2)cc1.
What is the InChIKey of N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide?
The InChIKey is BZTXRIWCALTEKM-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-27(2)19-9-6-17(7-10-19)24(30)26-25(12-4-3-5-13-25)28-20(15-23(28)29)18-8-11-21-22(14-18)32-16-31-21/h6-11,14,20H,3-5,12-13,15-16H2,1-2H3,(H,26,30)/t20-/m1/s1.
What are the key properties of N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide?
N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide has a molecular weight of 435.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-(1,3-benzodioxol-5-yl)-4-oxoazetidin-1-yl]cyclohexyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 1493626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).