(5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one

C20H34N2O2 — CID 25452939

IUPAC(5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1
InChIInChI=1S/C20H34N2O2/c1-2-7-18(23)22-15-12-20(16-22)11-6-13-21(19(20)24)14-10-17-8-4-3-5-9-17/h17H,2-16H2,1H3/t20-/m0/s1
InChIKeyJVTFZBOHKZHMSW-FQEVSTJZSA-N
MW334.50 g/mol
LogP3.60
Rot. Bonds5

About (5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25452939) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is (5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25452939
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name(5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1
InChIInChI=1S/C20H34N2O2/c1-2-7-18(23)22-15-12-20(16-22)11-6-13-21(19(20)24)14-10-17-8-4-3-5-9-17/h17H,2-16H2,1H3/t20-/m0/s1
InChIKeyJVTFZBOHKZHMSW-FQEVSTJZSA-N
XLogP3.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 25452939) is (5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one is CCCC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JVTFZBOHKZHMSW-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-2-7-18(23)22-15-12-20(16-22)11-6-13-21(19(20)24)14-10-17-8-4-3-5-9-17/h17H,2-16H2,1H3/t20-/m0/s1.
What are the key properties of (5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 334.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25452939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).