[4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone

C20H30N2O2 — CID 95880829

IUPAC[4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESCN1CC[C@@]2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)C2)C1
InChIInChI=1S/C20H30N2O2/c1-19(2,24)9-8-16-4-6-17(7-5-16)18(23)22-13-11-20(15-22)10-12-21(3)14-20/h4-7,24H,8-15H2,1-3H3/t20-/m1/s1
InChIKeyXSHSYZXOUOGLQP-HXUWFJFHSA-N
MW330.47 g/mol
LogP2.56
Rot. Bonds4

About [4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone

[4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone (PubChem CID 95880829) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is [4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone.

Molecular Properties

Compound Name[4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
PubChem CID95880829
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name[4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESCN1CC[C@@]2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)C2)C1
InChIInChI=1S/C20H30N2O2/c1-19(2,24)9-8-16-4-6-17(7-5-16)18(23)22-13-11-20(15-22)10-12-21(3)14-20/h4-7,24H,8-15H2,1-3H3/t20-/m1/s1
InChIKeyXSHSYZXOUOGLQP-HXUWFJFHSA-N
XLogP2.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone with MolForge

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Related Compounds

(7,10-dimethyl-3,7,10-triazatricyclo[3.3.3.01,5]undecan-3-yl)-[4-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70787025
[4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 95043075
[4-(3-hydroxy-3-methylbutyl)phenyl]-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 70729164
[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 119335964
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 56908896
[4-(3-hydroxy-3-methylbutyl)phenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 70781727
[4-(3-hydroxy-3-methylbutyl)phenyl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 56910698
(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 50971840
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 167881078
[4-(3-hydroxy-3-methylbutyl)phenyl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 70752813
2,2-dimethyl-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one
CID 126750297

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The IUPAC name of [4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone (CID 95880829) is [4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone.
What is the SMILES notation for [4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The canonical SMILES for [4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone is CN1CC[C@@]2(CCN(C(=O)c3ccc(CCC(C)(C)O)cc3)C2)C1.
What is the InChIKey of [4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The InChIKey is XSHSYZXOUOGLQP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-19(2,24)9-8-16-4-6-17(7-5-16)18(23)22-13-11-20(15-22)10-12-21(3)14-20/h4-7,24H,8-15H2,1-3H3/t20-/m1/s1.
What are the key properties of [4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone has a molecular weight of 330.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone is sourced from PubChem (CID 95880829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).