N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide

C20H28N2O4 — CID 108966151

IUPACN-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc2c(c1)OCCO2)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H28N2O4/c1-20(2,18(23)21-14-7-5-3-4-6-8-14)19(24)22-15-9-10-16-17(13-15)26-12-11-25-16/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyASZSRQFJQVOUMM-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.26
Rot. Bonds4

About N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide

N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide (PubChem CID 108966151) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
PubChem CID108966151
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccc2c(c1)OCCO2)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H28N2O4/c1-20(2,18(23)21-14-7-5-3-4-6-8-14)19(24)22-15-9-10-16-17(13-15)26-12-11-25-16/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyASZSRQFJQVOUMM-UHFFFAOYSA-N
XLogP3.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794924
1-N-cycloheptyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,4-dicarboxamide
CID 109048581
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[4-(dimethylamino)phenyl]-2,2-dimethylpropanediamide
CID 108969885
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N-(3-chlorophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959020
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-diethyl-2,2-dimethylpropanediamide
CID 108965769
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N'-(2-methylpropyl)propanediamide
CID 108958122
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919747
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-2-(methylamino)propanamide
CID 62834660
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-N'-quinolin-8-ylpropanediamide
CID 108970022

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide?
The IUPAC name of N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide (CID 108966151) is N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccc2c(c1)OCCO2)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide?
The InChIKey is ASZSRQFJQVOUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-20(2,18(23)21-14-7-5-3-4-6-8-14)19(24)22-15-9-10-16-17(13-15)26-12-11-25-16/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide?
N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide has a molecular weight of 360.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108966151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).