2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide

C19H28N4O3 — CID 100895703

IUPAC2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN1CCO[C@H]2CN(CC(=O)Nc3ccc(N4CCOCC4)cc3)C[C@H]21
InChIInChI=1S/C19H28N4O3/c1-21-6-11-26-18-13-22(12-17(18)21)14-19(24)20-15-2-4-16(5-3-15)23-7-9-25-10-8-23/h2-5,17-18H,6-14H2,1H3,(H,20,24)/t17-,18+/m1/s1
InChIKeyLVTKZRKCMDISSK-MSOLQXFVSA-N
MW360.46 g/mol
LogP0.48
Rot. Bonds4

About 2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 100895703) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID100895703
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN1CCO[C@H]2CN(CC(=O)Nc3ccc(N4CCOCC4)cc3)C[C@H]21
InChIInChI=1S/C19H28N4O3/c1-21-6-11-26-18-13-22(12-17(18)21)14-19(24)20-15-2-4-16(5-3-15)23-7-9-25-10-8-23/h2-5,17-18H,6-14H2,1H3,(H,20,24)/t17-,18+/m1/s1
InChIKeyLVTKZRKCMDISSK-MSOLQXFVSA-N
XLogP0.48
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide with MolForge

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4824447
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2400583
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016826
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
3-(4-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 46683230
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8591268
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
CID 33164009
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006520

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 100895703) is 2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide is CN1CCO[C@H]2CN(CC(=O)Nc3ccc(N4CCOCC4)cc3)C[C@H]21.
What is the InChIKey of 2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is LVTKZRKCMDISSK-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-21-6-11-26-18-13-22(12-17(18)21)14-19(24)20-15-2-4-16(5-3-15)23-7-9-25-10-8-23/h2-5,17-18H,6-14H2,1H3,(H,20,24)/t17-,18+/m1/s1.
What are the key properties of 2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 100895703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).