4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide

C21H24N2O3 — CID 91770642

IUPAC4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide
SMILESNC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC2Cc3ccccc3C2)cc1
InChIInChI=1S/C21H24N2O3/c22-21(24)14-5-7-18(8-6-14)26-20-13-25-10-9-19(20)23-17-11-15-3-1-2-4-16(15)12-17/h1-8,17,19-20,23H,9-13H2,(H2,22,24)/t19-,20-/m1/s1
InChIKeyPFNUIGNEPSNVPY-WOJBJXKFSA-N
MW352.43 g/mol
LogP2.08
Rot. Bonds5

About 4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide

4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide (PubChem CID 91770642) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide.

Molecular Properties

Compound Name4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide
PubChem CID91770642
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide
SMILESNC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC2Cc3ccccc3C2)cc1
InChIInChI=1S/C21H24N2O3/c22-21(24)14-5-7-18(8-6-14)26-20-13-25-10-9-19(20)23-17-11-15-3-1-2-4-16(15)12-17/h1-8,17,19-20,23H,9-13H2,(H2,22,24)/t19-,20-/m1/s1
InChIKeyPFNUIGNEPSNVPY-WOJBJXKFSA-N
XLogP2.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]morpholine-4-carboxamide
CID 91785022
N'-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-N-methylbutanediamide
CID 91780513
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide
CID 91788390
4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide
CID 91771131
4-[(3S,4R)-4-(3-methylsulfanylpropanoylamino)oxan-3-yl]oxybenzamide
CID 91797995
4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide
CID 91780929
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
CID 91770875
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 91789429
4-[(3S,4R)-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]oxan-3-yl]oxybenzamide
CID 91787674
4-[(3S,4R)-4-[3-(1,2,4-triazol-1-yl)propanoylamino]oxan-3-yl]oxybenzamide
CID 91781430
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91763682
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-1-ethylpyrazole-4-carboxamide
CID 91786321

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide?
The IUPAC name of 4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide (CID 91770642) is 4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide.
What is the SMILES notation for 4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide?
The canonical SMILES for 4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide is NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC2Cc3ccccc3C2)cc1.
What is the InChIKey of 4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide?
The InChIKey is PFNUIGNEPSNVPY-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H24N2O3/c22-21(24)14-5-7-18(8-6-14)26-20-13-25-10-9-19(20)23-17-11-15-3-1-2-4-16(15)12-17/h1-8,17,19-20,23H,9-13H2,(H2,22,24)/t19-,20-/m1/s1.
What are the key properties of 4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide?
4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide has a molecular weight of 352.43 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide is sourced from PubChem (CID 91770642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).