N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide

C25H31N3O2 — CID 67472456

IUPACN-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide
SMILESCC(=O)Nc1cccc(C(NC(=O)c2c(C)cccc2C)C23CCC(CC2)N3C)c1
InChIInChI=1S/C25H31N3O2/c1-16-7-5-8-17(2)22(16)24(30)27-23(25-13-11-21(12-14-25)28(25)4)19-9-6-10-20(15-19)26-18(3)29/h5-10,15,21,23H,11-14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyZBHQQEWIKSHUDP-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.36
Rot. Bonds5

About N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide

N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide (PubChem CID 67472456) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide
PubChem CID67472456
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide
SMILESCC(=O)Nc1cccc(C(NC(=O)c2c(C)cccc2C)C23CCC(CC2)N3C)c1
InChIInChI=1S/C25H31N3O2/c1-16-7-5-8-17(2)22(16)24(30)27-23(25-13-11-21(12-14-25)28(25)4)19-9-6-10-20(15-19)26-18(3)29/h5-10,15,21,23H,11-14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyZBHQQEWIKSHUDP-UHFFFAOYSA-N
XLogP4.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide with MolForge

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Related Compounds

N-[(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
CID 46862340
N-[(R)-(7-cyclopropyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
CID 67472519
N-[(R)-[7-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptan-1-yl]-phenylmethyl]-2,6-dimethylbenzamide
CID 67472530
N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]-1H-indazole-7-carboxamide
CID 67472963
N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
N-[7-azabicyclo[2.2.1]heptan-1-yl-(2-methyl-4-pyridinyl)methyl]-2,6-dimethylbenzamide
CID 46863189
1-(2,4-dimethyl-3-pyridinyl)-3-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-3-phenylpropan-1-one
CID 90998399
N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 115708260
N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
CID 81386672
N-(3-acetamidophenyl)-1-cyclopropyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 110861368
N-(3-methylphenyl)acetamide
CID 10843
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide (CID 67472456) is N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide is CC(=O)Nc1cccc(C(NC(=O)c2c(C)cccc2C)C23CCC(CC2)N3C)c1.
What is the InChIKey of N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide?
The InChIKey is ZBHQQEWIKSHUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-16-7-5-8-17(2)22(16)24(30)27-23(25-13-11-21(12-14-25)28(25)4)19-9-6-10-20(15-19)26-18(3)29/h5-10,15,21,23H,11-14H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide?
N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide has a molecular weight of 405.54 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)-(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 67472456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).