(5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C18H24N2O3 — CID 95728876

IUPAC(5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1ccc(CCC(=O)N2CCC[C@@]3(CNC(=O)O3)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-2-14-4-6-15(7-5-14)8-9-16(21)20-11-3-10-18(13-20)12-19-17(22)23-18/h4-7H,2-3,8-13H2,1H3,(H,19,22)/t18-/m1/s1
InChIKeyONNKGLAXWDJIBI-GOSISDBHSA-N
MW316.40 g/mol
LogP2.28
Rot. Bonds4

About (5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95728876) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95728876
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1ccc(CCC(=O)N2CCC[C@@]3(CNC(=O)O3)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-2-14-4-6-15(7-5-14)8-9-16(21)20-11-3-10-18(13-20)12-19-17(22)23-18/h4-7H,2-3,8-13H2,1H3,(H,19,22)/t18-/m1/s1
InChIKeyONNKGLAXWDJIBI-GOSISDBHSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95728876) is (5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCc1ccc(CCC(=O)N2CCC[C@@]3(CNC(=O)O3)C2)cc1.
What is the InChIKey of (5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is ONNKGLAXWDJIBI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-14-4-6-15(7-5-14)8-9-16(21)20-11-3-10-18(13-20)12-19-17(22)23-18/h4-7H,2-3,8-13H2,1H3,(H,19,22)/t18-/m1/s1.
What are the key properties of (5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[3-(4-ethylphenyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95728876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).