N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide

C14H20N2O3 — CID 110463600

IUPACN-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(C)CCCCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-16(2)8-4-3-7-15-14(17)11-5-6-12-13(9-11)19-10-18-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyOIBXOCVDALFRDX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.49
Rot. Bonds6

About N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide

N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110463600) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110463600
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide
SMILESCN(C)CCCCNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-16(2)8-4-3-7-15-14(17)11-5-6-12-13(9-11)19-10-18-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)
InChIKeyOIBXOCVDALFRDX-UHFFFAOYSA-N
XLogP1.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide 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

N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
3-N-(1,3-benzodioxol-5-yl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053473
N-[4-[[(E)-2-methylbut-2-enoyl]amino]butyl]-1,3-benzodioxole-5-carboxamide
CID 175600146
N-(4-bromopentyl)-1,3-benzodioxole-5-carboxamide
CID 114147566
N-pent-4-ynyl-1,3-benzodioxole-5-carboxamide
CID 103708735
N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 25395257
N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide
CID 47336935
N-[4-(4-fluorophenyl)butyl]-1,3-benzodioxole-5-carboxamide
CID 110288748
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040137
N-[2-(4-oxopentanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542975
N-(4-iodobutyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 106846069

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide (CID 110463600) is N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide is CN(C)CCCCNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OIBXOCVDALFRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(2)8-4-3-7-15-14(17)11-5-6-12-13(9-11)19-10-18-12/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide?
N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110463600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).