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

C16H21N3O5 — CID 91780929

IUPAC4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide
SMILESCC(=O)NCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H21N3O5/c1-10(20)18-8-15(21)19-13-6-7-23-9-14(13)24-12-4-2-11(3-5-12)16(17)22/h2-5,13-14H,6-9H2,1H3,(H2,17,22)(H,18,20)(H,19,21)/t13-,14-/m1/s1
InChIKeyJOTVXMZPSMYFHU-ZIAGYGMSSA-N
MW335.36 g/mol
LogP-0.43
Rot. Bonds6

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

4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide (PubChem CID 91780929) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide.

Molecular Properties

Compound Name4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide
PubChem CID91780929
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide
SMILESCC(=O)NCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H21N3O5/c1-10(20)18-8-15(21)19-13-6-7-23-9-14(13)24-12-4-2-11(3-5-12)16(17)22/h2-5,13-14H,6-9H2,1H3,(H2,17,22)(H,18,20)(H,19,21)/t13-,14-/m1/s1
InChIKeyJOTVXMZPSMYFHU-ZIAGYGMSSA-N
XLogP-0.43
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide
CID 91771131
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]-1-ethylpyrazole-4-carboxamide
CID 91786321
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
CID 91770875
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
4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide
CID 156608507
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide
CID 91788390
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 91789429
4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide
CID 91770642

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide?
The IUPAC name of 4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide (CID 91780929) is 4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide.
What is the SMILES notation for 4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide?
The canonical SMILES for 4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide is CC(=O)NCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide?
The InChIKey is JOTVXMZPSMYFHU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-10(20)18-8-15(21)19-13-6-7-23-9-14(13)24-12-4-2-11(3-5-12)16(17)22/h2-5,13-14H,6-9H2,1H3,(H2,17,22)(H,18,20)(H,19,21)/t13-,14-/m1/s1.
What are the key properties of 4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide?
4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide has a molecular weight of 335.36 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide is sourced from PubChem (CID 91780929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).