2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide

C16H31N3O2 — CID 97393800

IUPAC2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC2(CCCN(CC(C)(C)O)C2)CC1
InChIInChI=1S/C16H31N3O2/c1-15(2,21)12-19-8-4-5-16(13-19)6-9-18(10-7-16)11-14(20)17-3/h21H,4-13H2,1-3H3,(H,17,20)
InChIKeyHQQBYLDBJGQPMJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.68
Rot. Bonds4

About 2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide

2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide (PubChem CID 97393800) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
PubChem CID97393800
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC2(CCCN(CC(C)(C)O)C2)CC1
InChIInChI=1S/C16H31N3O2/c1-15(2,21)12-19-8-4-5-16(13-19)6-9-18(10-7-16)11-14(20)17-3/h21H,4-13H2,1-3H3,(H,17,20)
InChIKeyHQQBYLDBJGQPMJ-UHFFFAOYSA-N
XLogP0.68
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-iodo-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylpropan-2-ol
CID 175628880
4-(5-azaspiro[2.5]octan-5-yl)-2-methylbutan-2-ol
CID 127900251
N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 131697076
N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 97393811
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 115277650
2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
CID 97393813
N-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 166810198
2-[(6S)-2-acetyl-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]-N-methylacetamide
CID 97397965
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 63309954
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 63101713
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide (CID 97393800) is 2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide is CNC(=O)CN1CCC2(CCCN(CC(C)(C)O)C2)CC1.
What is the InChIKey of 2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide?
The InChIKey is HQQBYLDBJGQPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-15(2,21)12-19-8-4-5-16(13-19)6-9-18(10-7-16)11-14(20)17-3/h21H,4-13H2,1-3H3,(H,17,20).
What are the key properties of 2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide?
2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide has a molecular weight of 297.44 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide is sourced from PubChem (CID 97393800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).