1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide

C18H31N3O2 — CID 108876948

IUPAC1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC(C)N1CC(NC(=O)N2CC3(C)CC2CC(C)(C)C3)CC1=O
InChIInChI=1S/C18H31N3O2/c1-12(2)20-9-13(6-15(20)22)19-16(23)21-11-18(5)8-14(21)7-17(3,4)10-18/h12-14H,6-11H2,1-5H3,(H,19,23)
InChIKeyFIECONVSWFVZBM-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.61
Rot. Bonds2

About 1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide

1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 108876948) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID108876948
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC(C)N1CC(NC(=O)N2CC3(C)CC2CC(C)(C)C3)CC1=O
InChIInChI=1S/C18H31N3O2/c1-12(2)20-9-13(6-15(20)22)19-16(23)21-11-18(5)8-14(21)7-17(3,4)10-18/h12-14H,6-11H2,1-5H3,(H,19,23)
InChIKeyFIECONVSWFVZBM-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 108876894
(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
N-(furan-2-yl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108868530
2-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
CID 110736652
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
tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate
CID 168817443
4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide
CID 120930377
N-[(3R)-1-(2-chloro-6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 11247115
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108876913
N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108528980
2-amino-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 7268032

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of 1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide (CID 108876948) is 1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for 1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for 1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide is CC(C)N1CC(NC(=O)N2CC3(C)CC2CC(C)(C)C3)CC1=O.
What is the InChIKey of 1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is FIECONVSWFVZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-12(2)20-9-13(6-15(20)22)19-16(23)21-11-18(5)8-14(21)7-17(3,4)10-18/h12-14H,6-11H2,1-5H3,(H,19,23).
What are the key properties of 1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide?
1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 108876948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).