1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide

C18H25N3O4 — CID 108973872

IUPAC1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
SMILESCN(C)CCCNC(=O)C1(C(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C18H25N3O4/c1-21(2)9-3-8-19-16(22)18(6-7-18)17(23)20-13-4-5-14-15(12-13)25-11-10-24-14/h4-5,12H,3,6-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyIIGUFCZMPXTSIX-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.24
Rot. Bonds7

About 1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide

1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108973872) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
PubChem CID108973872
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
SMILESCN(C)CCCNC(=O)C1(C(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C18H25N3O4/c1-21(2)9-3-8-19-16(22)18(6-7-18)17(23)20-13-4-5-14-15(12-13)25-11-10-24-14/h4-5,12H,3,6-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyIIGUFCZMPXTSIX-UHFFFAOYSA-N
XLogP1.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979235
1-N'-(3,4-difluorophenyl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973898
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 113198628
1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977536
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982114
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017002
1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973858
methyl 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108983535
1-N'-(2,6-difluorophenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108983718
1-N-[2-(dimethylamino)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973473
1-N-(4-cyanophenyl)-1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108983715
1-N'-(1,3-benzodioxol-5-yl)-1-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108978412

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide (CID 108973872) is 1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide is CN(C)CCCNC(=O)C1(C(=O)Nc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is IIGUFCZMPXTSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-21(2)9-3-8-19-16(22)18(6-7-18)17(23)20-13-4-5-14-15(12-13)25-11-10-24-14/h4-5,12H,3,6-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide?
1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).