N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide

C19H21NO3 — CID 110752841

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)N(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H21NO3/c1-14-5-3-4-6-15(14)7-10-19(21)20(2)16-8-9-17-18(13-16)23-12-11-22-17/h3-6,8-9,13H,7,10-12H2,1-2H3
InChIKeyOXOFSMZFFSPNET-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.36
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide (PubChem CID 110752841) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide
PubChem CID110752841
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)N(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H21NO3/c1-14-5-3-4-6-15(14)7-10-19(21)20(2)16-8-9-17-18(13-16)23-12-11-22-17/h3-6,8-9,13H,7,10-12H2,1-2H3
InChIKeyOXOFSMZFFSPNET-UHFFFAOYSA-N
XLogP3.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenylpropanamide
CID 110752814
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-sulfanylpropanamide
CID 115167712
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide
CID 110752792
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 34764151
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752776
2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752851
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide
CID 110752269
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
CID 18190703
N-(6-amino-3-pyridinyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 115274616
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylacetamide
CID 82496768
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-2-sulfanylacetamide
CID 115167016

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide (CID 110752841) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)N(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide?
The InChIKey is OXOFSMZFFSPNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-5-3-4-6-15(14)7-10-19(21)20(2)16-8-9-17-18(13-16)23-12-11-22-17/h3-6,8-9,13H,7,10-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide has a molecular weight of 311.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 110752841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).