N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide

C21H24N2O5 — CID 131925589

IUPACN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide
SMILESCOc1cc2c(cc1CNC(=O)c1ccccc1N1CCOCC1)OCCO2
InChIInChI=1S/C21H24N2O5/c1-25-18-13-20-19(27-10-11-28-20)12-15(18)14-22-21(24)16-4-2-3-5-17(16)23-6-8-26-9-7-23/h2-5,12-13H,6-11,14H2,1H3,(H,22,24)
InChIKeyBAWIDBORXYDSAW-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.23
Rot. Bonds5

About N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide

N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide (PubChem CID 131925589) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide
PubChem CID131925589
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide
SMILESCOc1cc2c(cc1CNC(=O)c1ccccc1N1CCOCC1)OCCO2
InChIInChI=1S/C21H24N2O5/c1-25-18-13-20-19(27-10-11-28-20)12-15(18)14-22-21(24)16-4-2-3-5-17(16)23-6-8-26-9-7-23/h2-5,12-13H,6-11,14H2,1H3,(H,22,24)
InChIKeyBAWIDBORXYDSAW-UHFFFAOYSA-N
XLogP2.23
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide (CID 131925589) is N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide is COc1cc2c(cc1CNC(=O)c1ccccc1N1CCOCC1)OCCO2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide?
The InChIKey is BAWIDBORXYDSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-25-18-13-20-19(27-10-11-28-20)12-15(18)14-22-21(24)16-4-2-3-5-17(16)23-6-8-26-9-7-23/h2-5,12-13H,6-11,14H2,1H3,(H,22,24).
What are the key properties of N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide?
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide has a molecular weight of 384.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 131925589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).