2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide

C19H22N2O4 — CID 51099930

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)(C)c2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C19H22N2O4/c1-19(2,13-5-7-15-16(11-13)25-10-9-24-15)18(22)21(3)14-6-8-17(23-4)20-12-14/h5-8,11-12H,9-10H2,1-4H3
InChIKeyRCUFEKLSCCAPTF-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.80
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide (PubChem CID 51099930) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide
PubChem CID51099930
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)(C)c2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C19H22N2O4/c1-19(2,13-5-7-15-16(11-13)25-10-9-24-15)18(22)21(3)14-6-8-17(23-4)20-12-14/h5-8,11-12H,9-10H2,1-4H3
InChIKeyRCUFEKLSCCAPTF-UHFFFAOYSA-N
XLogP2.80
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide with MolForge

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Related Compounds

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]-methylamino]propanoic acid
CID 119358485
N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylpropanamide
CID 113197935
N-(6-methoxy-3-pyridinyl)-N-methyloxane-4-carboxamide
CID 75418464
N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17466734
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)-2-methylpropanamide
CID 113197945
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113197929
N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-propan-2-ylpropanamide
CID 113197932
8,19,28,39-tetratert-butyl-2,5,12,15,22,25,32,35-octaoxapentacyclo[34.4.0.06,11.016,21.026,31]tetraconta-1(36),6(11),7,9,16(21),17,19,26(31),27,29,37,39-dodecaene
CID 10557117
N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 119515043
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate
CID 54918112
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)butanoate
CID 65235920
N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
CID 110752658

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide (CID 51099930) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide is COc1ccc(N(C)C(=O)C(C)(C)c2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide?
The InChIKey is RCUFEKLSCCAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-19(2,13-5-7-15-16(11-13)25-10-9-24-15)18(22)21(3)14-6-8-17(23-4)20-12-14/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide has a molecular weight of 342.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methoxy-3-pyridinyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 51099930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).