2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide

C17H22N2O4 — CID 109140207

IUPAC2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H22N2O4/c1-3-4-7-19(2)17(21)13-9-12(13)16(20)18-11-5-6-14-15(8-11)23-10-22-14/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyMYWOQONRDZDVLQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.25
Rot. Bonds6

About 2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide

2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide (PubChem CID 109140207) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
PubChem CID109140207
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H22N2O4/c1-3-4-7-19(2)17(21)13-9-12(13)16(20)18-11-5-6-14-15(8-11)23-10-22-14/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyMYWOQONRDZDVLQ-UHFFFAOYSA-N
XLogP2.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzodioxol-5-yl)-1-butyl-1-methylurea
CID 47135837
2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140206
2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140203
3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea
CID 108893738
1-N-(1,3-benzodioxol-5-yl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143748
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109136687
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
3-[acetyl(butyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113115878
2-N-(1,3-benzodioxol-5-yl)-1-N-(2-chloro-4,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143240
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141800
1-N-butyl-1-N-methyl-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130498

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide (CID 109140207) is 2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide is CCCCN(C)C(=O)C1CC1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide?
The InChIKey is MYWOQONRDZDVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-4-7-19(2)17(21)13-9-12(13)16(20)18-11-5-6-14-15(8-11)23-10-22-14/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide?
2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109140207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).