4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide

C16H23N3O4 — CID 156608507

IUPAC4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide
SMILESCN(C)CC(=O)NC1COCCC1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H23N3O4/c1-19(2)9-15(20)18-13-10-22-8-7-14(13)23-12-5-3-11(4-6-12)16(17)21/h3-6,13-14H,7-10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyMLWNMPUJZHVRPH-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.00
Rot. Bonds6

About 4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide

4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide (PubChem CID 156608507) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide.

Molecular Properties

Compound Name4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide
PubChem CID156608507
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide
SMILESCN(C)CC(=O)NC1COCCC1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H23N3O4/c1-19(2)9-15(20)18-13-10-22-8-7-14(13)23-12-5-3-11(4-6-12)16(17)21/h3-6,13-14H,7-10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyMLWNMPUJZHVRPH-UHFFFAOYSA-N
XLogP-0.00
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-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-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide
CID 91780929
4-[(3S,4R)-4-[(2-cyclopentylacetyl)amino]oxan-3-yl]oxybenzamide
CID 91771131
4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid
CID 91765912
4-[(3S,4R)-4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]oxan-3-yl]oxybenzamide
CID 91787674
4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide
CID 91773651
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
CID 91770875
4-[(3R,4R)-3-[(2-pyridin-2-ylacetyl)amino]oxan-4-yl]oxybenzoic acid
CID 91782980
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]-1-ethylpyrazole-4-carboxamide
CID 91786321
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]morpholine-4-carboxamide
CID 91785022

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide?
The IUPAC name of 4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide (CID 156608507) is 4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide.
What is the SMILES notation for 4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide?
The canonical SMILES for 4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide is CN(C)CC(=O)NC1COCCC1Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide?
The InChIKey is MLWNMPUJZHVRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-19(2)9-15(20)18-13-10-22-8-7-14(13)23-12-5-3-11(4-6-12)16(17)21/h3-6,13-14H,7-10H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide?
4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide has a molecular weight of 321.38 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide is sourced from PubChem (CID 156608507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).