N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide

C21H31N3O3 — CID 124752032

IUPACN-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c1
InChIInChI=1S/C21H31N3O3/c1-16-4-5-17(2)18(12-16)22-19(26)13-23-9-3-7-21(14-23)8-6-20(27)24(15-21)10-11-25/h4-5,12,25H,3,6-11,13-15H2,1-2H3,(H,22,26)/t21-/m1/s1
InChIKeyIHUKYLYVNNJAEZ-OAQYLSRUSA-N
MW373.50 g/mol
LogP1.94
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide

N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide (PubChem CID 124752032) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
PubChem CID124752032
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c1
InChIInChI=1S/C21H31N3O3/c1-16-4-5-17(2)18(12-16)22-19(26)13-23-9-3-7-21(14-23)8-6-20(27)24(15-21)10-11-25/h4-5,12,25H,3,6-11,13-15H2,1-2H3,(H,22,26)/t21-/m1/s1
InChIKeyIHUKYLYVNNJAEZ-OAQYLSRUSA-N
XLogP1.94
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 91829765
2-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-tert-butylacetamide
CID 95871224
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
8-[(3-chloro-4-fluorophenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725865
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
N,N-dimethyl-2-[3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 70714257
2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-(2,5-dimethylphenyl)acetamide
CID 126212920
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
2-[(6S)-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97122740
2-[(6R)-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97122741
N-(2,5-dimethylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759411

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide (CID 124752032) is N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide is Cc1ccc(C)c(NC(=O)CN2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide?
The InChIKey is IHUKYLYVNNJAEZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16-4-5-17(2)18(12-16)22-19(26)13-23-9-3-7-21(14-23)8-6-20(27)24(15-21)10-11-25/h4-5,12,25H,3,6-11,13-15H2,1-2H3,(H,22,26)/t21-/m1/s1.
What are the key properties of N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(6R)-2-(2-hydroxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide is sourced from PubChem (CID 124752032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).