N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide

C16H27N3O2 — CID 166415899

IUPACN-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N1CCC(N2CC(C)(C)C2)C1
InChIInChI=1S/C16H27N3O2/c1-5-14(20)17(6-2)10-15(21)18-8-7-13(9-18)19-11-16(3,4)12-19/h5,13H,1,6-12H2,2-4H3
InChIKeyGSQXAOHTWNSLPV-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.96
Rot. Bonds5

About N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide

N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide (PubChem CID 166415899) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide
PubChem CID166415899
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N1CCC(N2CC(C)(C)C2)C1
InChIInChI=1S/C16H27N3O2/c1-5-14(20)17(6-2)10-15(21)18-8-7-13(9-18)19-11-16(3,4)12-19/h5,13H,1,6-12H2,2-4H3
InChIKeyGSQXAOHTWNSLPV-UHFFFAOYSA-N
XLogP0.96
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
2-(dimethylamino)-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 131129467
1-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 177022778
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
CID 80553918
N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
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-(methylamino)-2-oxoethyl]prop-2-enamide
CID 43616725
1-(3-piperazin-1-ylpyrrolidin-1-yl)pent-4-en-1-one
CID 112739428
N-[2-[cyclopropyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 167800664
2-(diethylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111560906
3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63175257

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide?
The IUPAC name of N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide (CID 166415899) is N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide.
What is the SMILES notation for N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide?
The canonical SMILES for N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide is C=CC(=O)N(CC)CC(=O)N1CCC(N2CC(C)(C)C2)C1.
What is the InChIKey of N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide?
The InChIKey is GSQXAOHTWNSLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-14(20)17(6-2)10-15(21)18-8-7-13(9-18)19-11-16(3,4)12-19/h5,13H,1,6-12H2,2-4H3.
What are the key properties of N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide?
N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide has a molecular weight of 293.41 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide is sourced from PubChem (CID 166415899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).