2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide

C23H28N2O — CID 46843038

IUPAC2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide
SMILESCc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2C
InChIInChI=1S/C23H28N2O/c1-16-8-7-9-17(2)20(16)22(26)24-21(18-10-5-4-6-11-18)23-14-12-19(13-15-23)25(23)3/h4-11,19,21H,12-15H2,1-3H3,(H,24,26)
InChIKeyITNYGRCQIUPSGT-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.40
Rot. Bonds4

About 2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide

2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide (PubChem CID 46843038) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide
PubChem CID46843038
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide
SMILESCc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2C
InChIInChI=1S/C23H28N2O/c1-16-8-7-9-17(2)20(16)22(26)24-21(18-10-5-4-6-11-18)23-14-12-19(13-15-23)25(23)3/h4-11,19,21H,12-15H2,1-3H3,(H,24,26)
InChIKeyITNYGRCQIUPSGT-UHFFFAOYSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9928326
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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
N-methyl-4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25216683
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-6-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydroisoquinolin-1-one
CID 25218401
2,6-dimethyl-N-[phenyl-(7-propan-2-yl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]benzamide
CID 46862555
2,6-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]benzamide
CID 57557335
(R)-N-isopropyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 45487774
2-Methyl-N-(1R-naphthalen-1-yl-ethyl)-benzamide
CID 44235434
[3H]Gsk931145
CID 73755091

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide?
The IUPAC name of 2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide (CID 46843038) is 2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide?
The canonical SMILES for 2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide is Cc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2C.
What is the InChIKey of 2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide?
The InChIKey is ITNYGRCQIUPSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-16-8-7-9-17(2)20(16)22(26)24-21(18-10-5-4-6-11-18)23-14-12-19(13-15-23)25(23)3/h4-11,19,21H,12-15H2,1-3H3,(H,24,26).
What are the key properties of 2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide?
2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide has a molecular weight of 348.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 46843038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).