N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide

C17H26N2O2 — CID 154796291

IUPACN-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1
InChIInChI=1S/C17H26N2O2/c1-4-15(20)18(5-2)10-16(21)19-9-14-12-6-7-13(8-12)17(14,3)11-19/h4,12-14H,1,5-11H2,2-3H3/t12-,13+,14-,17+/m1/s1
InChIKeyVZBYOIVHNMRPGO-OEUWWYETSA-N
MW290.41 g/mol
LogP1.92
Rot. Bonds4

About N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide

N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide (PubChem CID 154796291) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide
PubChem CID154796291
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1
InChIInChI=1S/C17H26N2O2/c1-4-15(20)18(5-2)10-16(21)19-9-14-12-6-7-13(8-12)17(14,3)11-19/h4,12-14H,1,5-11H2,2-3H3/t12-,13+,14-,17+/m1/s1
InChIKeyVZBYOIVHNMRPGO-OEUWWYETSA-N
XLogP1.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide
CID 166415899
1-[2-[(1S,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 128653926
N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide
CID 166407965
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide
CID 166407904
N-ethyl-N-[2-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-2-oxoethyl]prop-2-enamide
CID 166407766
N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 43616725
N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 167800664
3-amino-3-cyclopropyl-N,N-diethylazetidine-1-carboxamide
CID 79162193
N-[2-(4'-cyano-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)-2-oxoethyl]-N-methylprop-2-enamide
CID 166406665
N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
3-methylbutyl 2-[ethyl(prop-2-enoyl)amino]acetate
CID 134486244

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide (CID 154796291) is N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide is C=CC(=O)N(CC)CC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1.
What is the InChIKey of N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide?
The InChIKey is VZBYOIVHNMRPGO-OEUWWYETSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-15(20)18(5-2)10-16(21)19-9-14-12-6-7-13(8-12)17(14,3)11-19/h4,12-14H,1,5-11H2,2-3H3/t12-,13+,14-,17+/m1/s1.
What are the key properties of N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide?
N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide has a molecular weight of 290.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(1S,2S,6R,7R)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 154796291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).