N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide

C19H32N2O2 — CID 108528980

IUPACN-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C19H32N2O2/c1-18(2)10-15-11-19(3,12-18)13-21(15)17(23)16(22)20-14-8-6-4-5-7-9-14/h14-15H,4-13H2,1-3H3,(H,20,22)
InChIKeyNTOWRUPLNPQQDH-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.25
Rot. Bonds1

About N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide

N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide (PubChem CID 108528980) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
PubChem CID108528980
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C19H32N2O2/c1-18(2)10-15-11-19(3,12-18)13-21(15)17(23)16(22)20-14-8-6-4-5-7-9-14/h14-15H,4-13H2,1-3H3,(H,20,22)
InChIKeyNTOWRUPLNPQQDH-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(1R,5S)-N-cyclohexyl-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbothioamide
CID 40609118
piperidin-2-yl-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone;hydrochloride
CID 119261766
[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzoate
CID 4308523
1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl chloride
CID 54116057
ethane;1-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 145255334
N-[1-(1-adamantyl)ethyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108509136
2-amino-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 7268032
1-morpholin-4-yl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
CID 108509743
1-(3,5-dimethylpiperidin-1-yl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethane-1,2-dione
CID 108520590
(3-methylpyrrolidin-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 63143510
(1R,5S)-1,3,3-trimethyl-N-[[(1R,3S)-3-[[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]amino]methyl]cyclohexyl]methyl]-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 98159198
N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108915890

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide (CID 108528980) is N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide is CC1(C)CC2CC(C)(CN2C(=O)C(=O)NC2CCCCCC2)C1.
What is the InChIKey of N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The InChIKey is NTOWRUPLNPQQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-18(2)10-15-11-19(3,12-18)13-21(15)17(23)16(22)20-14-8-6-4-5-7-9-14/h14-15H,4-13H2,1-3H3,(H,20,22).
What are the key properties of N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide has a molecular weight of 320.48 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide is sourced from PubChem (CID 108528980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).