N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide

C19H27NO2 — CID 57193282

IUPACN-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide
SMILESCOC1CC2CC1C(C)(CNC(=O)c1ccccc1)C2(C)C
InChIInChI=1S/C19H27NO2/c1-18(2)14-10-15(16(11-14)22-4)19(18,3)12-20-17(21)13-8-6-5-7-9-13/h5-9,14-16H,10-12H2,1-4H3,(H,20,21)
InChIKeyWGGPTBKNWJBQIQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.50
Rot. Bonds4

About N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide

N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide (PubChem CID 57193282) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide
PubChem CID57193282
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide
SMILESCOC1CC2CC1C(C)(CNC(=O)c1ccccc1)C2(C)C
InChIInChI=1S/C19H27NO2/c1-18(2)14-10-15(16(11-14)22-4)19(18,3)12-20-17(21)13-8-6-5-7-9-13/h5-9,14-16H,10-12H2,1-4H3,(H,20,21)
InChIKeyWGGPTBKNWJBQIQ-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide
CID 91024979
Exo-5-(benzoylureidomethyl)-exo-2,3-epoxybicyclo[2.2.1]heptane
CID 129747743
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (5R)-5-benzamidohept-6-enoate
CID 134955433
4-fluoro-N-[2-[(5R,6S,8R,10R)-10-hydroxy-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-5-yl]ethyl]benzamide
CID 110143768
4-fluoro-N-[2-[(1R,5R,6S,8R,10R)-10-hydroxy-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-5-yl]ethyl]benzamide
CID 124976148
2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 162564192
N-[(1R,2R,4R,5R)-5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 13818467
N-(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-N-methylbenzamide
CID 20038686
2-Bicyclo[2.2.1]heptanylmethyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 57632467
[(1S,2R,5S)-2-[(4R,7aS)-4-(benzamidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-acetyloxy-2-methylcyclohexyl]methyl acetate
CID 57890609
[(1S,3R)-3-methyl-3-[[(2-methylbenzoyl)amino]methyl]cyclohexyl] N-prop-2-enylcarbamate
CID 59101046
N-[[(1R,3S,4S)-4-hydroxy-1-methyl-3-prop-2-enylcyclohexyl]methyl]-2-methylbenzamide
CID 59101047

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide?
The IUPAC name of N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide (CID 57193282) is N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide.
What is the SMILES notation for N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide?
The canonical SMILES for N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide is COC1CC2CC1C(C)(CNC(=O)c1ccccc1)C2(C)C.
What is the InChIKey of N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide?
The InChIKey is WGGPTBKNWJBQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-18(2)14-10-15(16(11-14)22-4)19(18,3)12-20-17(21)13-8-6-5-7-9-13/h5-9,14-16H,10-12H2,1-4H3,(H,20,21).
What are the key properties of N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide?
N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide has a molecular weight of 301.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide is sourced from PubChem (CID 57193282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).