N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C22H21NO6 — CID 42896195

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N(C)CC3COc4ccccc4O3)ccc12
InChIInChI=1S/C22H21NO6/c1-14-9-22(25)29-20-10-15(7-8-17(14)20)26-13-21(24)23(2)11-16-12-27-18-5-3-4-6-19(18)28-16/h3-10,16H,11-13H2,1-2H3
InChIKeyUNXFKVUGIFRLHG-UHFFFAOYSA-N
MW395.41 g/mol
LogP2.78
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 42896195) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID42896195
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N(C)CC3COc4ccccc4O3)ccc12
InChIInChI=1S/C22H21NO6/c1-14-9-22(25)29-20-10-15(7-8-17(14)20)26-13-21(24)23(2)11-16-12-27-18-5-3-4-6-19(18)28-16/h3-10,16H,11-13H2,1-2H3
InChIKeyUNXFKVUGIFRLHG-UHFFFAOYSA-N
XLogP2.78
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylacetamide
CID 43033048
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3-fluorophenoxy)-N-methylacetamide
CID 51144843
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(3-nitrophenoxy)acetamide
CID 8586814
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 51934323
N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 31645462
N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 18156097
N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27859428
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524874
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-ethylphenoxy)-N-methylacetamide
CID 112792043
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 2532585
N-(2-chlorophenyl)-2-[methyl-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 26561023
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methoxy-2-nitrophenoxy)-N-methylacetamide
CID 9337612

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 42896195) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)N(C)CC3COc4ccccc4O3)ccc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is UNXFKVUGIFRLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-14-9-22(25)29-20-10-15(7-8-17(14)20)26-13-21(24)23(2)11-16-12-27-18-5-3-4-6-19(18)28-16/h3-10,16H,11-13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 395.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 42896195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).