3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide

C16H25N3O3 — CID 109017002

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H25N3O3/c1-19(2)9-3-7-18-16(20)6-8-17-13-4-5-14-15(12-13)22-11-10-21-14/h4-5,12,17H,3,6-11H2,1-2H3,(H,18,20)
InChIKeyOPCIJOWCPIZTIJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.33
Rot. Bonds8

About 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide

3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 109017002) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID109017002
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H25N3O3/c1-19(2)9-3-7-18-16(20)6-8-17-13-4-5-14-15(12-13)22-11-10-21-14/h4-5,12,17H,3,6-11H2,1-2H3,(H,18,20)
InChIKeyOPCIJOWCPIZTIJ-UHFFFAOYSA-N
XLogP1.33
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide 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-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methylphenyl)propanamide
CID 109034407
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-methylpropanamide
CID 62324572
1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973872
3-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016980
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(dimethylamino)propyl]acetamide
CID 112991633
N-(1,3-benzodioxol-5-yl)-3-[3-(dimethylamino)propylamino]propanamide
CID 109017161
N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109016988
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 113198628
N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109021441
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015955
methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)butanoate
CID 43377888
3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017019

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide (CID 109017002) is 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCNc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is OPCIJOWCPIZTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-19(2)9-3-7-18-16(20)6-8-17-13-4-5-14-15(12-13)22-11-10-21-14/h4-5,12,17H,3,6-11H2,1-2H3,(H,18,20).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 307.39 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 109017002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).