5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C21H26N2O6 — CID 24643768

IUPAC5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)cc2c1OCCO2
InChIInChI=1S/C21H26N2O6/c1-14-3-4-17(29-14)16(23-5-7-26-8-6-23)13-22-21(24)15-11-18(25-2)20-19(12-15)27-9-10-28-20/h3-4,11-12,16H,5-10,13H2,1-2H3,(H,22,24)
InChIKeyDJYOJIDDXDBEJE-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.17
Rot. Bonds6

About 5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 24643768) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID24643768
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC Name5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)cc2c1OCCO2
InChIInChI=1S/C21H26N2O6/c1-14-3-4-17(29-14)16(23-5-7-26-8-6-23)13-22-21(24)15-11-18(25-2)20-19(12-15)27-9-10-28-20/h3-4,11-12,16H,5-10,13H2,1-2H3,(H,22,24)
InChIKeyDJYOJIDDXDBEJE-UHFFFAOYSA-N
XLogP2.17
TPSA82.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 24643793
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24646979
3,5-diacetamido-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 26010903
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 25402275
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 126423370
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
2-(5-chloro-2-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 24643794
4-(methoxysulfamoyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55821677
2-fluoro-4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 32707160
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
CID 42895264
4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26834639

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 24643768) is 5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)cc2c1OCCO2.
What is the InChIKey of 5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is DJYOJIDDXDBEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-14-3-4-17(29-14)16(23-5-7-26-8-6-23)13-22-21(24)15-11-18(25-2)20-19(12-15)27-9-10-28-20/h3-4,11-12,16H,5-10,13H2,1-2H3,(H,22,24).
What are the key properties of 5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 24643768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).