N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide

C19H26N2O2 — CID 796337

IUPACN-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2
InChIInChI=1S/C19H26N2O2/c1-13(22)20-16-8-6-5-7-15(16)17(23)21-12-19(4)10-14(21)9-18(2,3)11-19/h5-8,14H,9-12H2,1-4H3,(H,20,22)/t14-,19-/m0/s1
InChIKeyOZYKECDIWRBBAF-LIRRHRJNSA-N
MW314.43 g/mol
LogP3.69
Rot. Bonds2

About N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide

N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide (PubChem CID 796337) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide
PubChem CID796337
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2
InChIInChI=1S/C19H26N2O2/c1-13(22)20-16-8-6-5-7-15(16)17(23)21-12-19(4)10-14(21)9-18(2,3)11-19/h5-8,14H,9-12H2,1-4H3,(H,20,22)/t14-,19-/m0/s1
InChIKeyOZYKECDIWRBBAF-LIRRHRJNSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxyphenyl)-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 751628
N-[2-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethoxy]phenyl]acetamide
CID 4552560
1,3-benzodioxol-4-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 11358529
1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 5130823
2-oxo-N-(2-propan-2-ylphenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108500567
N-[3-[4-[3-chloro-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]naphthalen-1-yl]phenyl]acetamide
CID 46890260
furan-2-yl-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 962580
(1R,5S)-N-(2-chlorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 2385774
(2-bromo-4-fluorophenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 60699468
(1S,5R)-N-(2-fluorophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 7962412
(4-chlorophenyl)-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98157724
(3-methylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 2928751

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide?
The IUPAC name of N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide (CID 796337) is N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide is CC(=O)Nc1ccccc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2.
What is the InChIKey of N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide?
The InChIKey is OZYKECDIWRBBAF-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(22)20-16-8-6-5-7-15(16)17(23)21-12-19(4)10-14(21)9-18(2,3)11-19/h5-8,14H,9-12H2,1-4H3,(H,20,22)/t14-,19-/m0/s1.
What are the key properties of N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide?
N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide is sourced from PubChem (CID 796337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).