3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide

C23H22N2O4 — CID 156622032

IUPAC3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide
SMILESNC(=O)C(C[C@@H]1COc2ccc(OCc3ccccc3)cc2O1)c1ccncc1
InChIInChI=1S/C23H22N2O4/c24-23(26)20(17-8-10-25-11-9-17)12-19-15-28-21-7-6-18(13-22(21)29-19)27-14-16-4-2-1-3-5-16/h1-11,13,19-20H,12,14-15H2,(H2,24,26)/t19-,20?/m1/s1
InChIKeyHARWMIGKEMNPPZ-FIWHBWSRSA-N
MW390.44 g/mol
LogP3.46
Rot. Bonds7

About 3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide

3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide (PubChem CID 156622032) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide
PubChem CID156622032
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide
SMILESNC(=O)C(C[C@@H]1COc2ccc(OCc3ccccc3)cc2O1)c1ccncc1
InChIInChI=1S/C23H22N2O4/c24-23(26)20(17-8-10-25-11-9-17)12-19-15-28-21-7-6-18(13-22(21)29-19)27-14-16-4-2-1-3-5-16/h1-11,13,19-20H,12,14-15H2,(H2,24,26)/t19-,20?/m1/s1
InChIKeyHARWMIGKEMNPPZ-FIWHBWSRSA-N
XLogP3.46
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide
CID 156622031
(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139348002
6-phenylmethoxy-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139362389
1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine
CID 139351637
N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide
CID 139362356
1-(oxan-4-yl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]methanamine
CID 139348013
N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide
CID 139362343
1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine
CID 139348054
[(3R)-6-[(4-methoxyphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 139348032
N-[(2-fluoro-4-pyridinyl)methyl]-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139362396
N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine
CID 139347976
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

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide?
The IUPAC name of 3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide (CID 156622032) is 3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide?
The canonical SMILES for 3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide is NC(=O)C(C[C@@H]1COc2ccc(OCc3ccccc3)cc2O1)c1ccncc1.
What is the InChIKey of 3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide?
The InChIKey is HARWMIGKEMNPPZ-FIWHBWSRSA-N. The full InChI is InChI=1S/C23H22N2O4/c24-23(26)20(17-8-10-25-11-9-17)12-19-15-28-21-7-6-18(13-22(21)29-19)27-14-16-4-2-1-3-5-16/h1-11,13,19-20H,12,14-15H2,(H2,24,26)/t19-,20?/m1/s1.
What are the key properties of 3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide?
3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide has a molecular weight of 390.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide is sourced from PubChem (CID 156622032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).