N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide

C15H20N2O — CID 70238920

IUPACN-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide
SMILESCN1[C@H]2CC[C@@H]1[C@@H](CNC(=O)c1ccccc1)C2
InChIInChI=1S/C15H20N2O/c1-17-13-7-8-14(17)12(9-13)10-16-15(18)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,16,18)/t12-,13+,14-/m1/s1
InChIKeyWFXWYVJWFRTHLA-HZSPNIEDSA-N
MW244.34 g/mol
LogP1.90
Rot. Bonds3

About N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide

N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide (PubChem CID 70238920) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide
PubChem CID70238920
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide
SMILESCN1[C@H]2CC[C@@H]1[C@@H](CNC(=O)c1ccccc1)C2
InChIInChI=1S/C15H20N2O/c1-17-13-7-8-14(17)12(9-13)10-16-15(18)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,16,18)/t12-,13+,14-/m1/s1
InChIKeyWFXWYVJWFRTHLA-HZSPNIEDSA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
(1S,2R,3S,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 6541386
methyl (1R,2S,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 644005
methyl (3S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 5315982
ethanol;methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 69027756
4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61019144
4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61074514
CID 87317016
CID 87317016
cobalt;methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 69019997
(2R,3S)-3-((1,2,3,4,5,6-13C6)cyclohexatrienecarbonyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid;methyl (2R,3S)-3-((1,2,3,4,5,6-13C6)cyclohexatrienecarbonyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 159379314
[2-[(3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methoxymethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate
CID 22898553
methyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;sulfuric acid
CID 67574114

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide (CID 70238920) is N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide is CN1[C@H]2CC[C@@H]1[C@@H](CNC(=O)c1ccccc1)C2.
What is the InChIKey of N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide?
The InChIKey is WFXWYVJWFRTHLA-HZSPNIEDSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-13-7-8-14(17)12(9-13)10-16-15(18)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,16,18)/t12-,13+,14-/m1/s1.
What are the key properties of N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide?
N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide has a molecular weight of 244.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methyl]benzamide is sourced from PubChem (CID 70238920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).