2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C18H19NO3 — CID 51284843

IUPAC2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC(NC(=O)C1Oc2ccccc2OC1C)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-12(14-8-4-3-5-9-14)19-18(20)17-13(2)21-15-10-6-7-11-16(15)22-17/h3-13,17H,1-2H3,(H,19,20)
InChIKeyMLSLFVSIFOSEPQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.09
Rot. Bonds3

About 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 51284843) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID51284843
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC(NC(=O)C1Oc2ccccc2OC1C)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-12(14-8-4-3-5-9-14)19-18(20)17-13(2)21-15-10-6-7-11-16(15)22-17/h3-13,17H,1-2H3,(H,19,20)
InChIKeyMLSLFVSIFOSEPQ-UHFFFAOYSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-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

(2S,3R)-N-[(1S)-1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94629645
2-methyl-N-(1-phenylbutyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46808058
(2S,3S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 93239792
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55890215
(2R,3S)-2-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94508687
N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51286352
N-cyclopentyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46698192
methyl 3-[(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]-3-(4-methylphenyl)propanoate
CID 55501332
2-[(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]benzoic acid
CID 2991809
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(2S,3R)-2-methyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 124733118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 51284843) is 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC(NC(=O)C1Oc2ccccc2OC1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is MLSLFVSIFOSEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12(14-8-4-3-5-9-14)19-18(20)17-13(2)21-15-10-6-7-11-16(15)22-17/h3-13,17H,1-2H3,(H,19,20).
What are the key properties of 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 51284843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).