N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide

C22H25NO5 — CID 139362356

IUPACN-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide
SMILESO=C(NC[C@@H]1COc2ccc(OCc3ccccc3)cc2O1)C1CCOCC1
InChIInChI=1S/C22H25NO5/c24-22(17-8-10-25-11-9-17)23-13-19-15-27-20-7-6-18(12-21(20)28-19)26-14-16-4-2-1-3-5-16/h1-7,12,17,19H,8-11,13-15H2,(H,23,24)/t19-/m1/s1
InChIKeyFTXYLCPVCALCIX-LJQANCHMSA-N
MW383.44 g/mol
LogP2.95
Rot. Bonds6

About N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide

N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide (PubChem CID 139362356) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide
PubChem CID139362356
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC NameN-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide
SMILESO=C(NC[C@@H]1COc2ccc(OCc3ccccc3)cc2O1)C1CCOCC1
InChIInChI=1S/C22H25NO5/c24-22(17-8-10-25-11-9-17)23-13-19-15-27-20-7-6-18(12-21(20)28-19)26-14-16-4-2-1-3-5-16/h1-7,12,17,19H,8-11,13-15H2,(H,23,24)/t19-/m1/s1
InChIKeyFTXYLCPVCALCIX-LJQANCHMSA-N
XLogP2.95
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide with MolForge

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Related Compounds

1-(oxan-4-yl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]methanamine
CID 139348013
1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide
CID 153328855
1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 159892973
1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide
CID 139362391
(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139348002
N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine
CID 139347976
1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine
CID 139348054
6-phenylmethoxy-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139362389
N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide
CID 139362343
3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide
CID 156622032
1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine
CID 139351637
N-[(2-fluoro-4-pyridinyl)methyl]-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139362396

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide (CID 139362356) is N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide is O=C(NC[C@@H]1COc2ccc(OCc3ccccc3)cc2O1)C1CCOCC1.
What is the InChIKey of N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide?
The InChIKey is FTXYLCPVCALCIX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25NO5/c24-22(17-8-10-25-11-9-17)23-13-19-15-27-20-7-6-18(12-21(20)28-19)26-14-16-4-2-1-3-5-16/h1-7,12,17,19H,8-11,13-15H2,(H,23,24)/t19-/m1/s1.
What are the key properties of N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide?
N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 139362356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).