N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide

C21H24N2O — CID 66799648

IUPACN-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(c1ccccc1)C12CC(CN1)C2
InChIInChI=1S/C21H24N2O/c1-14-7-6-8-15(2)18(14)20(24)23-19(17-9-4-3-5-10-17)21-11-16(12-21)13-22-21/h3-10,16,19,22H,11-13H2,1-2H3,(H,23,24)
InChIKeyWUPVXOQYEAWARY-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.53
Rot. Bonds4

About N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide

N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide (PubChem CID 66799648) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide
PubChem CID66799648
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(c1ccccc1)C12CC(CN1)C2
InChIInChI=1S/C21H24N2O/c1-14-7-6-8-15(2)18(14)20(24)23-19(17-9-4-3-5-10-17)21-11-16(12-21)13-22-21/h3-10,16,19,22H,11-13H2,1-2H3,(H,23,24)
InChIKeyWUPVXOQYEAWARY-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44517677
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CID 24856363
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
Teijin-lead_cmp_5
CID 44353447
N-ethyl-4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25216680
Sdccggsk-0000288.P001
CID 44578255
2,6-dimethyl-N-[phenyl-(7-propan-2-yl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]benzamide
CID 46862555
(R)-N-isopropyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 45487774
(2S,3S)-3-[4-(3-carbamoylphenyl)phenyl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895828
[3H]Gsk931145
CID 73755091
N-benzyl-N-[(3R)-1-[(1R,5S)-8-(2,6-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 44590394

Frequently Asked Questions

What is the IUPAC name of N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide (CID 66799648) is N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NC(c1ccccc1)C12CC(CN1)C2.
What is the InChIKey of N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide?
The InChIKey is WUPVXOQYEAWARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-14-7-6-8-15(2)18(14)20(24)23-19(17-9-4-3-5-10-17)21-11-16(12-21)13-22-21/h3-10,16,19,22H,11-13H2,1-2H3,(H,23,24).
What are the key properties of N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide?
N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide has a molecular weight of 320.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-azabicyclo[2.1.1]hexan-1-yl(phenyl)methyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 66799648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).