N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide

C15H26N2O — CID 167244452

IUPACN-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide
SMILESCCC12CCC(NC(=O)C3CN(C)C3)(CC1)CC2
InChIInChI=1S/C15H26N2O/c1-3-14-4-7-15(8-5-14,9-6-14)16-13(18)12-10-17(2)11-12/h12H,3-11H2,1-2H3,(H,16,18)
InChIKeyPHDCNVNEMNNCLO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds3

About N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide

N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide (PubChem CID 167244452) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide
PubChem CID167244452
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide
SMILESCCC12CCC(NC(=O)C3CN(C)C3)(CC1)CC2
InChIInChI=1S/C15H26N2O/c1-3-14-4-7-15(8-5-14,9-6-14)16-13(18)12-10-17(2)11-12/h12H,3-11H2,1-2H3,(H,16,18)
InChIKeyPHDCNVNEMNNCLO-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)cyclopropanecarboxamide
CID 130444150
(3S)-N-(1-adamantyl)-1-methylpiperidine-3-carboxamide
CID 99970201
4-acetyl-N-(4-methyl-1-bicyclo[2.2.2]octanyl)cyclohexane-1-carboxamide
CID 156836468
1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 54938838
N-(4-butan-2-yl-1-bicyclo[2.2.2]octanyl)-1-(oxetan-3-yl)piperidine-4-carboxamide
CID 156541846
3-amino-N-(1-ethylcyclopropyl)cyclobutane-1-carboxamide
CID 164660891
(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane
CID 144942313
1-methyl-N-(3-methylazetidin-3-yl)pyrrolidine-3-carboxamide
CID 130901496
N-(1-ethynylcyclohexyl)-1-methylpiperidine-4-carboxamide
CID 58597773
(3S)-N-(1-ethylcyclobutyl)pyrrolidine-3-carboxamide
CID 130635677
[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 174232006
N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
CID 63887978

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide?
The IUPAC name of N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide (CID 167244452) is N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide?
The canonical SMILES for N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide is CCC12CCC(NC(=O)C3CN(C)C3)(CC1)CC2.
What is the InChIKey of N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide?
The InChIKey is PHDCNVNEMNNCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-14-4-7-15(8-5-14,9-6-14)16-13(18)12-10-17(2)11-12/h12H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide?
N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1-bicyclo[2.2.2]octanyl)-1-methylazetidine-3-carboxamide is sourced from PubChem (CID 167244452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).