N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide

C16H28N2O2 — CID 71993917

IUPACN-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N1CCCC2(CCCCCC2)C1
InChIInChI=1S/C16H28N2O2/c1-2-14(19)17-12-15(20)18-11-7-10-16(13-18)8-5-3-4-6-9-16/h2-13H2,1H3,(H,17,19)
InChIKeyKTAFAGSQSZSCAF-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.48
Rot. Bonds3

About N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide

N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide (PubChem CID 71993917) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide
PubChem CID71993917
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide
SMILESCCC(=O)NCC(=O)N1CCCC2(CCCCCC2)C1
InChIInChI=1S/C16H28N2O2/c1-2-14(19)17-12-15(20)18-11-7-10-16(13-18)8-5-3-4-6-9-16/h2-13H2,1H3,(H,17,19)
InChIKeyKTAFAGSQSZSCAF-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide?
The IUPAC name of N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide (CID 71993917) is N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide.
What is the SMILES notation for N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide?
The canonical SMILES for N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide is CCC(=O)NCC(=O)N1CCCC2(CCCCCC2)C1.
What is the InChIKey of N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide?
The InChIKey is KTAFAGSQSZSCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-14(19)17-12-15(20)18-11-7-10-16(13-18)8-5-3-4-6-9-16/h2-13H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide?
N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide has a molecular weight of 280.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-azaspiro[5.6]dodecan-2-yl)-2-oxoethyl]propanamide is sourced from PubChem (CID 71993917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).