2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide

C21H22N2O6 — CID 109143680

IUPAC2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1
InChIInChI=1S/C21H22N2O6/c1-26-13-4-5-16(18(10-13)27-2)23-21(25)15-11-14(15)20(24)22-12-3-6-17-19(9-12)29-8-7-28-17/h3-6,9-10,14-15H,7-8,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJABHTXMNBXTZAP-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.69
Rot. Bonds6

About 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide

2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143680) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143680
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1
InChIInChI=1S/C21H22N2O6/c1-26-13-4-5-16(18(10-13)27-2)23-21(25)15-11-14(15)20(24)22-12-3-6-17-19(9-12)29-8-7-28-17/h3-6,9-10,14-15H,7-8,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJABHTXMNBXTZAP-UHFFFAOYSA-N
XLogP2.69
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-acetamidophenyl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143673
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
2-N-(2,4-dimethoxyphenyl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141778
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141800
1-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143373
1-N-(3-acetamidophenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143830
2-N-(4-acetylphenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143802
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143314
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 732712
1-N-(3-chloro-2-methylphenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143023
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,5-dimethoxyphenyl)thiourea
CID 21178788
1-N-(2,4-dimethoxyphenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130555

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109143680) is 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide is COc1ccc(NC(=O)C2CC2C(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1.
What is the InChIKey of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is JABHTXMNBXTZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-26-13-4-5-16(18(10-13)27-2)23-21(25)15-11-14(15)20(24)22-12-3-6-17-19(9-12)29-8-7-28-17/h3-6,9-10,14-15H,7-8,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 398.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).