N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide

C14H22N2O3 — CID 24833928

IUPACN-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCCNC(=O)CN1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIInChI=1S/C14H22N2O3/c1-5-15-10(17)8-16-11(18)9-6-7-14(4,12(16)19)13(9,2)3/h9H,5-8H2,1-4H3,(H,15,17)
InChIKeyDYFKZKPAFUYCOQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.93
Rot. Bonds3

About N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide

N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 24833928) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID24833928
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCCNC(=O)CN1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIInChI=1S/C14H22N2O3/c1-5-15-10(17)8-16-11(18)9-6-7-14(4,12(16)19)13(9,2)3/h9H,5-8H2,1-4H3,(H,15,17)
InChIKeyDYFKZKPAFUYCOQ-UHFFFAOYSA-N
XLogP0.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 24833928) is N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide is CCNC(=O)CN1C(=O)C2CCC(C)(C1=O)C2(C)C.
What is the InChIKey of N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is DYFKZKPAFUYCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-15-10(17)8-16-11(18)9-6-7-14(4,12(16)19)13(9,2)3/h9H,5-8H2,1-4H3,(H,15,17).
What are the key properties of N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 24833928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).