N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide

C25H34N2O7 — CID 143969615

IUPACN-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)N[C@H](CN2CCOCC2)[C@H](O)C2=CC=C3OCCOC3C2)cc1
InChIInChI=1S/C25H34N2O7/c1-30-19-3-5-20(6-4-19)32-11-8-24(28)26-21(17-27-9-12-31-13-10-27)25(29)18-2-7-22-23(16-18)34-15-14-33-22/h2-7,21,23,25,29H,8-17H2,1H3,(H,26,28)/t21-,23?,25-/m1/s1
InChIKeyUUSXYJOECRVYQG-MOGRSXHUSA-N
MW474.55 g/mol
LogP1.27
Rot. Bonds10

About N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide

N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide (PubChem CID 143969615) has the molecular formula C25H34N2O7 and a molecular weight of 474.55 g/mol. Its IUPAC name is N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide
PubChem CID143969615
Molecular FormulaC25H34N2O7
Molecular Weight474.55 g/mol
Exact Mass474.24
IUPAC NameN-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)N[C@H](CN2CCOCC2)[C@H](O)C2=CC=C3OCCOC3C2)cc1
InChIInChI=1S/C25H34N2O7/c1-30-19-3-5-20(6-4-19)32-11-8-24(28)26-21(17-27-9-12-31-13-10-27)25(29)18-2-7-22-23(16-18)34-15-14-33-22/h2-7,21,23,25,29H,8-17H2,1H3,(H,26,28)/t21-,23?,25-/m1/s1
InChIKeyUUSXYJOECRVYQG-MOGRSXHUSA-N
XLogP1.27
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide with MolForge

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Related Compounds

N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 59531065
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 135225445
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,3-dimethylpyrrolidin-1-yl)-1-hydroxypropan-2-yl]-3-(4-methoxyphenoxy)propanamide;methane
CID 158630462
N-[(1R,2R)-1-hydroxy-1-(4-methoxy-3-methylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 59530862
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-3-(4-ethoxyphenoxy)propanamide
CID 46196108
N-[(1R,2R)-1-(1,3-benzodioxol-5-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 71286417
N-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]propan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 162544695
N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 70919237
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-imidazol-1-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide;methane
CID 161290145
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2,3-dimethylbutyl(methyl)amino]-1-hydroxypropan-2-yl]-3-(4-methoxyphenoxy)propanamide
CID 130369132
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-fluoropiperidin-1-yl)-1-hydroxypropan-2-yl]-7-(4-methoxyphenyl)-7-oxoheptanamide
CID 59530662
N-[(2R)-1-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpropan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide
CID 90159878

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide (CID 143969615) is N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)N[C@H](CN2CCOCC2)[C@H](O)C2=CC=C3OCCOC3C2)cc1.
What is the InChIKey of N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide?
The InChIKey is UUSXYJOECRVYQG-MOGRSXHUSA-N. The full InChI is InChI=1S/C25H34N2O7/c1-30-19-3-5-20(6-4-19)32-11-8-24(28)26-21(17-27-9-12-31-13-10-27)25(29)18-2-7-22-23(16-18)34-15-14-33-22/h2-7,21,23,25,29H,8-17H2,1H3,(H,26,28)/t21-,23?,25-/m1/s1.
What are the key properties of N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide?
N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide has a molecular weight of 474.55 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-(2,3,4a,5-tetrahydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]-3-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 143969615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).