2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide

C26H37N3O2 — CID 11166156

IUPAC2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)c2ccc(NC(=O)CN3CC4CCCC3C4)cc2)C1
InChIInChI=1S/C26H37N3O2/c1-25(2)12-22-13-26(3,16-25)17-29(22)24(31)19-7-9-20(10-8-19)27-23(30)15-28-14-18-5-4-6-21(28)11-18/h7-10,18,21-22H,4-6,11-17H2,1-3H3,(H,27,30)
InChIKeyUKBJPHRQIGXXFV-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.54
Rot. Bonds4

About 2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide

2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide (PubChem CID 11166156) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide
PubChem CID11166156
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)c2ccc(NC(=O)CN3CC4CCCC3C4)cc2)C1
InChIInChI=1S/C26H37N3O2/c1-25(2)12-22-13-26(3,16-25)17-29(22)24(31)19-7-9-20(10-8-19)27-23(30)15-28-14-18-5-4-6-21(28)11-18/h7-10,18,21-22H,4-6,11-17H2,1-3H3,(H,27,30)
InChIKeyUKBJPHRQIGXXFV-UHFFFAOYSA-N
XLogP4.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide with MolForge

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Related Compounds

2-amino-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide
CID 11186525
2-[4-(dimethylamino)piperidin-1-yl]-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide
CID 11224464
N-(4-aminophenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 82224567
(4-chlorophenyl)-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98157724
(1S,5S)-1,3,3-trimethyl-N-[4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]amino]phenyl]-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 98089225
methyl 3-[[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]carbamoyl]benzoate
CID 11750886
4-decoxy-N-[4-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]benzamide
CID 98057797
[4-(2-hydroxypropan-2-yl)phenyl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 58324663
[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]methylsulfamoylcarbamic acid
CID 71010353
N-[4-[[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]phenyl]-5-methylfuran-3-carboxamide
CID 133127519
4-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenoxy]cyclohexane-1-carboxylic acid
CID 24963336
N-cyclopropyl-1,1,1-trifluoro-N-[[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]methyl]methanesulfonamide
CID 16662741

Frequently Asked Questions

What is the IUPAC name of 2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide (CID 11166156) is 2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide is CC1(C)CC2CC(C)(CN2C(=O)c2ccc(NC(=O)CN3CC4CCCC3C4)cc2)C1.
What is the InChIKey of 2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide?
The InChIKey is UKBJPHRQIGXXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-25(2)12-22-13-26(3,16-25)17-29(22)24(31)19-7-9-20(10-8-19)27-23(30)15-28-14-18-5-4-6-21(28)11-18/h7-10,18,21-22H,4-6,11-17H2,1-3H3,(H,27,30).
What are the key properties of 2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide?
2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide has a molecular weight of 423.60 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azabicyclo[3.2.1]octan-6-yl)-N-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)phenyl]acetamide is sourced from PubChem (CID 11166156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).