N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide

C20H17NO5 — CID 31979910

IUPACN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide
SMILESCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H17NO5/c1-21(11-13-12-24-17-8-4-5-9-18(17)25-13)20(23)19-10-15(22)14-6-2-3-7-16(14)26-19/h2-10,13H,11-12H2,1H3/t13-/m1/s1
InChIKeyPADHDMRRNZPEHC-CYBMUJFWSA-N
MW351.36 g/mol
LogP2.70
Rot. Bonds3

About N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide (PubChem CID 31979910) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide
PubChem CID31979910
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC NameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide
SMILESCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H17NO5/c1-21(11-13-12-24-17-8-4-5-9-18(17)25-13)20(23)19-10-15(22)14-6-2-3-7-16(14)26-19/h2-10,13H,11-12H2,1H3/t13-/m1/s1
InChIKeyPADHDMRRNZPEHC-CYBMUJFWSA-N
XLogP2.70
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylfuran-2-carboxamide
CID 31984678
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,4-trimethylbenzamide
CID 51144829
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,5-dimethyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 51955252
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,5-trimethylfuran-3-carboxamide
CID 112792039
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 43009601
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 27793935
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 40633418
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylisoquinoline-1-carboxamide
CID 95148453
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethylbutanamide
CID 61259944
2,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
CID 55329965
4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide
CID 15041163
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-iodo-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide (CID 31979910) is N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide is CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide?
The InChIKey is PADHDMRRNZPEHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H17NO5/c1-21(11-13-12-24-17-8-4-5-9-18(17)25-13)20(23)19-10-15(22)14-6-2-3-7-16(14)26-19/h2-10,13H,11-12H2,1H3/t13-/m1/s1.
What are the key properties of N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide?
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 31979910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).