N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide

C22H26N2O — CID 46862338

IUPACN-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2
InChIInChI=1S/C22H26N2O/c1-15-7-6-8-16(2)19(15)21(25)23-20(17-9-4-3-5-10-17)22-13-11-18(24-22)12-14-22/h3-10,18,20,24H,11-14H2,1-2H3,(H,23,25)
InChIKeyLMVLUIGCBTZPJK-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.06
Rot. Bonds4

About N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide

N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide (PubChem CID 46862338) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide
PubChem CID46862338
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2
InChIInChI=1S/C22H26N2O/c1-15-7-6-8-16(2)19(15)21(25)23-20(17-9-4-3-5-10-17)22-13-11-18(24-22)12-14-22/h3-10,18,20,24H,11-14H2,1-2H3,(H,23,25)
InChIKeyLMVLUIGCBTZPJK-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide (CID 46862338) is N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2.
What is the InChIKey of N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide?
The InChIKey is LMVLUIGCBTZPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-15-7-6-8-16(2)19(15)21(25)23-20(17-9-4-3-5-10-17)22-13-11-18(24-22)12-14-22/h3-10,18,20,24H,11-14H2,1-2H3,(H,23,25).
What are the key properties of N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide?
N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide has a molecular weight of 334.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 46862338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).