N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

C20H33N3O3 — CID 72861074

IUPACN-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C20H33N3O3/c24-18-20(9-4-11-23(18)17-7-13-26-14-8-17)10-12-22(15-20)19(25)21-16-5-2-1-3-6-16/h16-17H,1-15H2,(H,21,25)
InChIKeyTWTGHXFQJMTAMY-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.52
Rot. Bonds2

About N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 72861074) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID72861074
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C20H33N3O3/c24-18-20(9-4-11-23(18)17-7-13-26-14-8-17)10-12-22(15-20)19(25)21-16-5-2-1-3-6-16/h16-17H,1-15H2,(H,21,25)
InChIKeyTWTGHXFQJMTAMY-UHFFFAOYSA-N
XLogP2.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 72861074) is N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is O=C(NC1CCCCC1)N1CCC2(CCCN(C3CCOCC3)C2=O)C1.
What is the InChIKey of N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is TWTGHXFQJMTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c24-18-20(9-4-11-23(18)17-7-13-26-14-8-17)10-12-22(15-20)19(25)21-16-5-2-1-3-6-16/h16-17H,1-15H2,(H,21,25).
What are the key properties of N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 72861074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).