2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide

C22H33N3O2 — CID 70739252

IUPAC2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCCC2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H33N3O2/c1-21(2,3)23-19(26)15-24-13-7-11-22(16-24)12-10-20(27)25(17-22)14-18-8-5-4-6-9-18/h4-6,8-9H,7,10-17H2,1-3H3,(H,23,26)
InChIKeyZRBUMAKRHZXAPX-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.81
Rot. Bonds4

About 2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide

2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide (PubChem CID 70739252) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide
PubChem CID70739252
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCCC2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H33N3O2/c1-21(2,3)23-19(26)15-24-13-7-11-22(16-24)12-10-20(27)25(17-22)14-18-8-5-4-6-9-18/h4-6,8-9H,7,10-17H2,1-3H3,(H,23,26)
InChIKeyZRBUMAKRHZXAPX-UHFFFAOYSA-N
XLogP2.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-tert-butylacetamide
CID 95871224
(6S)-2-benzyl-8-[(4-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95872077
3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
CID 70746799
N-tert-butyl-2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]acetamide
CID 126442354
(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896111
4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide
CID 95873204
N,N-dimethyl-2-[3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 70714257
(6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896628
8-benzyl-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70738812
(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95885755
(6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896359
4-[[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
CID 70753605

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide?
The IUPAC name of 2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide (CID 70739252) is 2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide?
The canonical SMILES for 2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide is CC(C)(C)NC(=O)CN1CCCC2(CCC(=O)N(Cc3ccccc3)C2)C1.
What is the InChIKey of 2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide?
The InChIKey is ZRBUMAKRHZXAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-21(2,3)23-19(26)15-24-13-7-11-22(16-24)12-10-20(27)25(17-22)14-18-8-5-4-6-9-18/h4-6,8-9H,7,10-17H2,1-3H3,(H,23,26).
What are the key properties of 2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide?
2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide has a molecular weight of 371.53 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)-N-tert-butylacetamide is sourced from PubChem (CID 70739252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).