2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H30N2O2 — CID 70740041

IUPAC2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H](CO)CN1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C20H30N2O2/c1-17(15-23)13-21-11-9-20(10-12-21)8-7-19(24)22(16-20)14-18-5-3-2-4-6-18/h2-6,17,23H,7-16H2,1H3/t17-/m1/s1
InChIKeyTVCVAYGQRAYEGM-QGZVFWFLSA-N
MW330.47 g/mol
LogP2.52
Rot. Bonds5

About 2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one

2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70740041) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70740041
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H](CO)CN1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C20H30N2O2/c1-17(15-23)13-21-11-9-20(10-12-21)8-7-19(24)22(16-20)14-18-5-3-2-4-6-18/h2-6,17,23H,7-16H2,1H3/t17-/m1/s1
InChIKeyTVCVAYGQRAYEGM-QGZVFWFLSA-N
XLogP2.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70783678
2-benzyl-9-[(2S)-2-methylsulfanylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152355
2-[9-[(2R)-3-hydroxy-2-methylpropyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 72916174
2-benzyl-9-ethylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72929649
2-benzyl-9-(2-ethylsulfanylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72922405
2-benzyl-9-[3-(dimethylamino)-2-methylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72937334
2-benzyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70756757
2-benzyl-9-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70713337
2-benzyl-9-(2-propoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72847825
2-benzyl-9-(2-ethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72911476
2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97149071
2-benzyl-9-[[(2R)-oxan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136898

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70740041) is 2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one is C[C@@H](CO)CN1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1.
What is the InChIKey of 2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is TVCVAYGQRAYEGM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-17(15-23)13-21-11-9-20(10-12-21)8-7-19(24)22(16-20)14-18-5-3-2-4-6-18/h2-6,17,23H,7-16H2,1H3/t17-/m1/s1.
What are the key properties of 2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 330.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-9-[(2R)-3-hydroxy-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70740041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).