3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone

C17H24N2O2 — CID 63108568

IUPAC3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone
SMILESCC(C)Nc1ccccc1C(=O)N1CCOC2CCCC21
InChIInChI=1S/C17H24N2O2/c1-12(2)18-14-7-4-3-6-13(14)17(20)19-10-11-21-16-9-5-8-15(16)19/h3-4,6-7,12,15-16,18H,5,8-11H2,1-2H3
InChIKeyWDSSWPWMIDVHTK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.90
Rot. Bonds3

About 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone (PubChem CID 63108568) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone.

Molecular Properties

Compound Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone
PubChem CID63108568
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone
SMILESCC(C)Nc1ccccc1C(=O)N1CCOC2CCCC21
InChIInChI=1S/C17H24N2O2/c1-12(2)18-14-7-4-3-6-13(14)17(20)19-10-11-21-16-9-5-8-15(16)19/h3-4,6-7,12,15-16,18H,5,8-11H2,1-2H3
InChIKeyWDSSWPWMIDVHTK-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(2-hydrazinylphenyl)methanone
CID 62243127
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-sulfanylphenyl)methanone
CID 107026884
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-methylphenyl)methanone
CID 128946457
methyl 1-[2-(propan-2-ylamino)benzoyl]pyrrolidine-2-carboxylate
CID 63107678
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(2-ethylsulfonylphenyl)methanone
CID 52655582
(4-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107586
[2-(hydroxymethyl)azepan-1-yl]-[2-(propan-2-ylamino)phenyl]methanone
CID 116635542
4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile
CID 79681452
(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63108073
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 62510757
(5-ethyl-2-methylmorpholin-4-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107721
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-sulfanylpropan-1-one
CID 107026890

Frequently Asked Questions

What is the IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone?
The IUPAC name of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone (CID 63108568) is 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone.
What is the SMILES notation for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone?
The canonical SMILES for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone is CC(C)Nc1ccccc1C(=O)N1CCOC2CCCC21.
What is the InChIKey of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone?
The InChIKey is WDSSWPWMIDVHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)18-14-7-4-3-6-13(14)17(20)19-10-11-21-16-9-5-8-15(16)19/h3-4,6-7,12,15-16,18H,5,8-11H2,1-2H3.
What are the key properties of 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone?
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(propan-2-ylamino)phenyl]methanone is sourced from PubChem (CID 63108568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).