6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide

C17H23N3O3 — CID 131658081

IUPAC6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
SMILESCNC(=O)C1CC2CN(C(=O)NCc3ccccc3C)CC1O2
InChIInChI=1S/C17H23N3O3/c1-11-5-3-4-6-12(11)8-19-17(22)20-9-13-7-14(16(21)18-2)15(10-20)23-13/h3-6,13-15H,7-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyOSHYPBRUCCOMHB-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.04
Rot. Bonds3

About 6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide

6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide (PubChem CID 131658081) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide.

Molecular Properties

Compound Name6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
PubChem CID131658081
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
SMILESCNC(=O)C1CC2CN(C(=O)NCc3ccccc3C)CC1O2
InChIInChI=1S/C17H23N3O3/c1-11-5-3-4-6-12(11)8-19-17(22)20-9-13-7-14(16(21)18-2)15(10-20)23-13/h3-6,13-15H,7-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyOSHYPBRUCCOMHB-UHFFFAOYSA-N
XLogP1.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide with MolForge

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Related Compounds

(1S,5R,6S)-3-N-methyl-6-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
CID 155547465
(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,6S)-3-benzyl-N-methyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155553389
6-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
CID 134071828
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
N-methyl-3-[(5-methylfuran-2-yl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 131648483
(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
(2S)-4-hydroxy-1-[(2-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61203885
N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
CID 119074138
2-[2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]phenyl]acetic acid
CID 81311304
(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
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 109134650

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide?
The IUPAC name of 6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide (CID 131658081) is 6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide.
What is the SMILES notation for 6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide?
The canonical SMILES for 6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide is CNC(=O)C1CC2CN(C(=O)NCc3ccccc3C)CC1O2.
What is the InChIKey of 6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide?
The InChIKey is OSHYPBRUCCOMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-5-3-4-6-12(11)8-19-17(22)20-9-13-7-14(16(21)18-2)15(10-20)23-13/h3-6,13-15H,7-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide?
6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-3-N-[(2-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide is sourced from PubChem (CID 131658081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).