4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide

C19H26N2O4 — CID 91771131

IUPAC4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide
SMILESNC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CC2CCCC2)cc1
InChIInChI=1S/C19H26N2O4/c20-19(23)14-5-7-15(8-6-14)25-17-12-24-10-9-16(17)21-18(22)11-13-3-1-2-4-13/h5-8,13,16-17H,1-4,9-12H2,(H2,20,23)(H,21,22)/t16-,17-/m1/s1
InChIKeyZUIQHQVSLKTMDB-IAGOWNOFSA-N
MW346.43 g/mol
LogP2.02
Rot. Bonds6

About 4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide

4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide (PubChem CID 91771131) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide.

Molecular Properties

Compound Name4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide
PubChem CID91771131
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide
SMILESNC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CC2CCCC2)cc1
InChIInChI=1S/C19H26N2O4/c20-19(23)14-5-7-15(8-6-14)25-17-12-24-10-9-16(17)21-18(22)11-13-3-1-2-4-13/h5-8,13,16-17H,1-4,9-12H2,(H2,20,23)(H,21,22)/t16-,17-/m1/s1
InChIKeyZUIQHQVSLKTMDB-IAGOWNOFSA-N
XLogP2.02
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-N-methylbutanediamide
CID 91780513
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
4-[(3S,4R)-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]oxan-3-yl]oxybenzamide
CID 91787674
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]morpholine-4-carboxamide
CID 91785022
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]pyridazine-4-carboxamide
CID 91788390
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
CID 91770875
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-1-ethylpyrazole-4-carboxamide
CID 91786321
4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide
CID 156608507
4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide
CID 91770642
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 91789429

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide?
The IUPAC name of 4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide (CID 91771131) is 4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide.
What is the SMILES notation for 4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide?
The canonical SMILES for 4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide is NC(=O)c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CC2CCCC2)cc1.
What is the InChIKey of 4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide?
The InChIKey is ZUIQHQVSLKTMDB-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N2O4/c20-19(23)14-5-7-15(8-6-14)25-17-12-24-10-9-16(17)21-18(22)11-13-3-1-2-4-13/h5-8,13,16-17H,1-4,9-12H2,(H2,20,23)(H,21,22)/t16-,17-/m1/s1.
What are the key properties of 4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide?
4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide has a molecular weight of 346.43 g/mol, XLogP of 2.02, 6 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-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide is sourced from PubChem (CID 91771131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).