N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C22H25N3O5 — CID 2574814

IUPACN-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CN(C)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H25N3O5/c1-14-5-4-6-15(2)21(14)24-19(26)12-23-20(27)13-25(3)22(28)16-7-8-17-18(11-16)30-10-9-29-17/h4-8,11H,9-10,12-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyNOGSOAKBIQIVEY-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.90
Rot. Bonds6

About N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 2574814) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID2574814
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CN(C)C(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H25N3O5/c1-14-5-4-6-15(2)21(14)24-19(26)12-23-20(27)13-25(3)22(28)16-7-8-17-18(11-16)30-10-9-29-17/h4-8,11H,9-10,12-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyNOGSOAKBIQIVEY-UHFFFAOYSA-N
XLogP1.90
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9479956
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17397609
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 9011392
3-(dimethylamino)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9431379
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27760430
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134057917
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 17397187
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 31936113
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
CID 9426110
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 9426086

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 2574814) is N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)CN(C)C(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is NOGSOAKBIQIVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-14-5-4-6-15(2)21(14)24-19(26)12-23-20(27)13-25(3)22(28)16-7-8-17-18(11-16)30-10-9-29-17/h4-8,11H,9-10,12-13H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 2574814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).