2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide

C21H26N2O4 — CID 17450869

IUPAC2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)N(C)CC1COc2ccccc2O1
InChIInChI=1S/C21H26N2O4/c1-14-9-10-18(25-4)17(11-14)22-21(24)15(2)23(3)12-16-13-26-19-7-5-6-8-20(19)27-16/h5-11,15-16H,12-13H2,1-4H3,(H,22,24)
InChIKeyKWVOIUVWMSMUPL-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.10
Rot. Bonds6

About 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide

2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 17450869) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID17450869
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)C(C)N(C)CC1COc2ccccc2O1
InChIInChI=1S/C21H26N2O4/c1-14-9-10-18(25-4)17(11-14)22-21(24)15(2)23(3)12-16-13-26-19-7-5-6-8-20(19)27-16/h5-11,15-16H,12-13H2,1-4H3,(H,22,24)
InChIKeyKWVOIUVWMSMUPL-UHFFFAOYSA-N
XLogP3.10
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045836
(2R)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045840
(2R)-2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 124738878
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(2-methoxyphenyl)urea
CID 51168449
N-(5-amino-2-methoxyphenyl)-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984612
2-(2,3-dihydro-1-benzofuran-3-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110753832
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methylbenzamide
CID 51144792
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 119117183
N-[(2S)-1-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55935138
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium
CID 8513918
2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9368281
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methoxy-N,4-dimethylbenzamide
CID 51230534

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide (CID 17450869) is 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)C(C)N(C)CC1COc2ccccc2O1.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is KWVOIUVWMSMUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-9-10-18(25-4)17(11-14)22-21(24)15(2)23(3)12-16-13-26-19-7-5-6-8-20(19)27-16/h5-11,15-16H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide?
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 370.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 17450869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).