1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

C25H46N4O2 — CID 176634059

IUPAC1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(C)(C)N1CC2(CCN(C(=O)CN3CCC4(CC3)CN(C(C)(C)C)CCO4)CC2)C1
InChIInChI=1S/C25H46N4O2/c1-22(2,3)28-15-16-31-25(20-28)9-11-26(12-10-25)17-21(30)27-13-7-24(8-14-27)18-29(19-24)23(4,5)6/h7-20H2,1-6H3
InChIKeyMZYGEYPEOTWIIK-UHFFFAOYSA-N
MW434.67 g/mol
LogP2.67
Rot. Bonds2

About 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone

1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 176634059) has the molecular formula C25H46N4O2 and a molecular weight of 434.67 g/mol. Its IUPAC name is 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID176634059
Molecular FormulaC25H46N4O2
Molecular Weight434.67 g/mol
Exact Mass434.36
IUPAC Name1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(C)(C)N1CC2(CCN(C(=O)CN3CCC4(CC3)CN(C(C)(C)C)CCO4)CC2)C1
InChIInChI=1S/C25H46N4O2/c1-22(2,3)28-15-16-31-25(20-28)9-11-26(12-10-25)17-21(30)27-13-7-24(8-14-27)18-29(19-24)23(4,5)6/h7-20H2,1-6H3
InChIKeyMZYGEYPEOTWIIK-UHFFFAOYSA-N
XLogP2.67
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone with MolForge

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Related Compounds

1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-3,3-dimethylbutan-2-one
CID 168726993
2-(2-tert-butyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 138746899
2-(4-tert-butylpiperazin-1-yl)-1-morpholin-4-ylethanone
CID 21061564
tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 170651649
2-tert-butyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonane
CID 171406778
1-[4-(5-chloropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-pyrrolidin-1-ylethanone
CID 131951201
tert-butyl 4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 151011850
2-(2,2-dimethylmorpholin-4-yl)-1-piperidin-1-ylethanone
CID 70907050
1-[4-[2-(benzotriazol-2-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 131932589
1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone
CID 125023420
3-hydroxy-2,2-dimethyl-1-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)propan-1-one
CID 162628856
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 138382516

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 176634059) is 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is CC(C)(C)N1CC2(CCN(C(=O)CN3CCC4(CC3)CN(C(C)(C)C)CCO4)CC2)C1.
What is the InChIKey of 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is MZYGEYPEOTWIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O2/c1-22(2,3)28-15-16-31-25(20-28)9-11-26(12-10-25)17-21(30)27-13-7-24(8-14-27)18-29(19-24)23(4,5)6/h7-20H2,1-6H3.
What are the key properties of 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone?
1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 434.67 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 176634059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).