N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide

C17H24N2O3 — CID 154820695

IUPACN-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N[C@@H]1C[C@H]2CO[C@H](C)CN2C1
InChIInChI=1S/C17H24N2O3/c1-12-5-3-4-6-16(12)22-11-17(20)18-14-7-15-10-21-13(2)8-19(15)9-14/h3-6,13-15H,7-11H2,1-2H3,(H,18,20)/t13-,14-,15+/m1/s1
InChIKeyCJHSLITVDUMDFQ-KFWWJZLASA-N
MW304.39 g/mol
LogP1.35
Rot. Bonds4

About N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide

N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 154820695) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide
PubChem CID154820695
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N[C@@H]1C[C@H]2CO[C@H](C)CN2C1
InChIInChI=1S/C17H24N2O3/c1-12-5-3-4-6-16(12)22-11-17(20)18-14-7-15-10-21-13(2)8-19(15)9-14/h3-6,13-15H,7-11H2,1-2H3,(H,18,20)/t13-,14-,15+/m1/s1
InChIKeyCJHSLITVDUMDFQ-KFWWJZLASA-N
XLogP1.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide with MolForge

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Related Compounds

N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(2-aminoethoxy)-4-methylbenzamide
CID 154817674
N-[(3S,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3-chlorophenyl)acetamide
CID 155505686
N-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-(phenoxymethyl)benzamide
CID 154820224
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
CID 110751539
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819905
2-(2-methylphenoxy)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735883
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methylphenoxy)acetamide;formic acid
CID 163341407
1-[(3R,7S,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(3-chloro-2-methylphenyl)urea
CID 155498559
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-propanoylphenoxy)acetamide
CID 154817657
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methylphenoxy)acetamide
CID 3892335
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methylphenoxy)acetamide
CID 880138

Frequently Asked Questions

What is the IUPAC name of N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide (CID 154820695) is N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)N[C@@H]1C[C@H]2CO[C@H](C)CN2C1.
What is the InChIKey of N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is CJHSLITVDUMDFQ-KFWWJZLASA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-5-3-4-6-16(12)22-11-17(20)18-14-7-15-10-21-13(2)8-19(15)9-14/h3-6,13-15H,7-11H2,1-2H3,(H,18,20)/t13-,14-,15+/m1/s1.
What are the key properties of N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide?
N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 154820695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).