9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one

C16H28N2O3 — CID 110196190

IUPAC9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one
SMILESCCC(=O)N1CCC2(CCC(=O)N(CCOC)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-14(19)17-9-6-16(7-10-17)5-4-15(20)18(11-8-16)12-13-21-2/h3-13H2,1-2H3
InChIKeyOHOGWHICRHBCBM-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.66
Rot. Bonds4

About 9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one

9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one (PubChem CID 110196190) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one
PubChem CID110196190
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one
SMILESCCC(=O)N1CCC2(CCC(=O)N(CCOC)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-14(19)17-9-6-16(7-10-17)5-4-15(20)18(11-8-16)12-13-21-2/h3-13H2,1-2H3
InChIKeyOHOGWHICRHBCBM-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one (CID 110196190) is 9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one is CCC(=O)N1CCC2(CCC(=O)N(CCOC)CC2)CC1.
What is the InChIKey of 9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one?
The InChIKey is OHOGWHICRHBCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-14(19)17-9-6-16(7-10-17)5-4-15(20)18(11-8-16)12-13-21-2/h3-13H2,1-2H3.
What are the key properties of 9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one?
9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one has a molecular weight of 296.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-3-propanoyl-3,9-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 110196190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).