N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide

C20H24N2O2 — CID 95157631

IUPACN-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NC[C@@H]1CN2CCC[C@@H]2CO1
InChIInChI=1S/C20H24N2O2/c23-20(11-15-7-8-16-4-1-2-5-17(16)10-15)21-12-19-13-22-9-3-6-18(22)14-24-19/h1-2,4-5,7-8,10,18-19H,3,6,9,11-14H2,(H,21,23)/t18-,19-/m1/s1
InChIKeyBLNKRMQBTDWLTD-RTBURBONSA-N
MW324.42 g/mol
LogP2.36
Rot. Bonds4

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

N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide (PubChem CID 95157631) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide
PubChem CID95157631
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)NC[C@@H]1CN2CCC[C@@H]2CO1
InChIInChI=1S/C20H24N2O2/c23-20(11-15-7-8-16-4-1-2-5-17(16)10-15)21-12-19-13-22-9-3-6-18(22)14-24-19/h1-2,4-5,7-8,10,18-19H,3,6,9,11-14H2,(H,21,23)/t18-,19-/m1/s1
InChIKeyBLNKRMQBTDWLTD-RTBURBONSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 94890581
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-hydroxybenzamide
CID 78986367
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-1-methylindole-2-carboxamide
CID 94817809
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-methylbenzamide
CID 94822337
N-[(4-methylmorpholin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 49094018
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(2-phenylethyl)benzamide
CID 52536724
N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-bromobenzamide
CID 98750637
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-ethylbenzamide
CID 94822361
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-phenoxybenzamide
CID 49097653
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]pyridine-2-carboxamide
CID 94810936
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 95305391
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95158964

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide (CID 95157631) is N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)NC[C@@H]1CN2CCC[C@@H]2CO1.
What is the InChIKey of N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide?
The InChIKey is BLNKRMQBTDWLTD-RTBURBONSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(11-15-7-8-16-4-1-2-5-17(16)10-15)21-12-19-13-22-9-3-6-18(22)14-24-19/h1-2,4-5,7-8,10,18-19H,3,6,9,11-14H2,(H,21,23)/t18-,19-/m1/s1.
What are the key properties of N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide?
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide has a molecular weight of 324.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 95157631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).