(1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide

C15H19N3O3 — CID 155547465

IUPAC(1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
SMILESCNC(=O)N1C[C@@H]2C[C@H](C(=O)Nc3ccccc3)[C@H](C1)O2
InChIInChI=1S/C15H19N3O3/c1-16-15(20)18-8-11-7-12(13(9-18)21-11)14(19)17-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3,(H,16,20)(H,17,19)/t11-,12-,13-/m0/s1
InChIKeyBBZGDXXLAAZBON-AVGNSLFASA-N
MW289.33 g/mol
LogP1.05
Rot. Bonds2

About (1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide

(1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide (PubChem CID 155547465) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide.

Molecular Properties

Compound Name(1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
PubChem CID155547465
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
SMILESCNC(=O)N1C[C@@H]2C[C@H](C(=O)Nc3ccccc3)[C@H](C1)O2
InChIInChI=1S/C15H19N3O3/c1-16-15(20)18-8-11-7-12(13(9-18)21-11)14(19)17-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3,(H,16,20)(H,17,19)/t11-,12-,13-/m0/s1
InChIKeyBBZGDXXLAAZBON-AVGNSLFASA-N
XLogP1.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R,6R)-6-N-(1,3-benzodioxol-5-yl)-3-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
CID 133142631
(1S,5S,6S)-3-benzyl-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 98780108
N-phenyl-3-[(E)-3-thiophen-2-ylprop-2-enoyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155870058
(1S,5S,6S)-3-(2-methoxyethyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 134690098
(1S,5R,6R)-3-(2-methoxyethyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133141250
6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
CID 131658081
(1S,5R,6S)-3-benzyl-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155553389
(1S,5R,6R)-3-methyl-N-pyridin-3-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133141739
(1S,5R,6R)-6-N-benzyl-3-N-(2-methylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
CID 133135744
(1S,5R,6R)-3-N-(2-chlorophenyl)-6-N-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
CID 133142330
(1S,5R,6S)-3-N-(4-fluorophenyl)-6-N-(2-methylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
CID 155545034
6-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
CID 134071828

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide?
The IUPAC name of (1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide (CID 155547465) is (1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide.
What is the SMILES notation for (1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide?
The canonical SMILES for (1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide is CNC(=O)N1C[C@@H]2C[C@H](C(=O)Nc3ccccc3)[C@H](C1)O2.
What is the InChIKey of (1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide?
The InChIKey is BBZGDXXLAAZBON-AVGNSLFASA-N. The full InChI is InChI=1S/C15H19N3O3/c1-16-15(20)18-8-11-7-12(13(9-18)21-11)14(19)17-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3,(H,16,20)(H,17,19)/t11-,12-,13-/m0/s1.
What are the key properties of (1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide?
(1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide is sourced from PubChem (CID 155547465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).