3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide

C15H21N3O2 — CID 63357224

IUPAC3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N2CCOC3CCCC32)c1
InChIInChI=1S/C15H21N3O2/c1-17-15(19)10-5-6-11(16)13(9-10)18-7-8-20-14-4-2-3-12(14)18/h5-6,9,12,14H,2-4,7-8,16H2,1H3,(H,17,19)
InChIKeyOQDZUFRETGHCFD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.39
Rot. Bonds2

About 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide (PubChem CID 63357224) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide.

Molecular Properties

Compound Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide
PubChem CID63357224
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(N2CCOC3CCCC32)c1
InChIInChI=1S/C15H21N3O2/c1-17-15(19)10-5-6-11(16)13(9-10)18-7-8-20-14-4-2-3-12(14)18/h5-6,9,12,14H,2-4,7-8,16H2,1H3,(H,17,19)
InChIKeyOQDZUFRETGHCFD-UHFFFAOYSA-N
XLogP1.39
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide?
The IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide (CID 63357224) is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide.
What is the SMILES notation for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide?
The canonical SMILES for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide is CNC(=O)c1ccc(N)c(N2CCOC3CCCC32)c1.
What is the InChIKey of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide?
The InChIKey is OQDZUFRETGHCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-15(19)10-5-6-11(16)13(9-10)18-7-8-20-14-4-2-3-12(14)18/h5-6,9,12,14H,2-4,7-8,16H2,1H3,(H,17,19).
What are the key properties of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide?
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-methylbenzamide is sourced from PubChem (CID 63357224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).