N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide

C18H33N3O2 — CID 86908931

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCC(NC(=O)CN(C)CC(=O)NC(C)(C)C)C1CC2CCC1C2
InChIInChI=1S/C18H33N3O2/c1-12(15-9-13-6-7-14(15)8-13)19-16(22)10-21(5)11-17(23)20-18(2,3)4/h12-15H,6-11H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyFIOIGINLAXOODV-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.77
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 86908931) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
PubChem CID86908931
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
SMILESCC(NC(=O)CN(C)CC(=O)NC(C)(C)C)C1CC2CCC1C2
InChIInChI=1S/C18H33N3O2/c1-12(15-9-13-6-7-14(15)8-13)19-16(22)10-21(5)11-17(23)20-18(2,3)4/h12-15H,6-11H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyFIOIGINLAXOODV-UHFFFAOYSA-N
XLogP1.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbutanamide
CID 98233114
2-[[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912678
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137773
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-chloroacetamide
CID 98137772
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylsulfonylacetamide
CID 98784730
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913411
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685686
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-[3-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-3-oxopropyl]sulfanylpropanamide
CID 100726421
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62822670

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide (CID 86908931) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide is CC(NC(=O)CN(C)CC(=O)NC(C)(C)C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is FIOIGINLAXOODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-12(15-9-13-6-7-14(15)8-13)19-16(22)10-21(5)11-17(23)20-18(2,3)4/h12-15H,6-11H2,1-5H3,(H,19,22)(H,20,23).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 323.48 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 86908931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).