ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate

C18H30N2O4 — CID 24842781

IUPACethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate
SMILESCCOC(=O)CCN1CCCC(CC)C12C(C)C(=O)NC(=O)C2C
InChIInChI=1S/C18H30N2O4/c1-5-14-8-7-10-20(11-9-15(21)24-6-2)18(14)12(3)16(22)19-17(23)13(18)4/h12-14H,5-11H2,1-4H3,(H,19,22,23)
InChIKeyDSFRTJPGKUHQNP-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.73
Rot. Bonds5

About ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate

ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate (PubChem CID 24842781) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate
PubChem CID24842781
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Nameethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate
SMILESCCOC(=O)CCN1CCCC(CC)C12C(C)C(=O)NC(=O)C2C
InChIInChI=1S/C18H30N2O4/c1-5-14-8-7-10-20(11-9-15(21)24-6-2)18(14)12(3)16(22)19-17(23)13(18)4/h12-14H,5-11H2,1-4H3,(H,19,22,23)
InChIKeyDSFRTJPGKUHQNP-UHFFFAOYSA-N
XLogP1.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride
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ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094
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ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62922576
ethyl 6-(2-methyl-3,5-dioxopiperazin-1-yl)hexanoate
CID 66061766
ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651
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CID 166535323
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CID 58861501

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate?
The IUPAC name of ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate (CID 24842781) is ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate?
The canonical SMILES for ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate is CCOC(=O)CCN1CCCC(CC)C12C(C)C(=O)NC(=O)C2C.
What is the InChIKey of ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate?
The InChIKey is DSFRTJPGKUHQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-5-14-8-7-10-20(11-9-15(21)24-6-2)18(14)12(3)16(22)19-17(23)13(18)4/h12-14H,5-11H2,1-4H3,(H,19,22,23).
What are the key properties of ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate?
ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate has a molecular weight of 338.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-ethyl-7,11-dimethyl-8,10-dioxo-1,9-diazaspiro[5.5]undecan-1-yl)propanoate is sourced from PubChem (CID 24842781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).