(6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide

C18H25N3O2 — CID 97495385

IUPAC(6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC[C@]2(CCCC(=O)N2C)C1
InChIInChI=1S/C18H25N3O2/c1-14-7-3-4-8-15(14)19-17(23)21-12-6-11-18(13-21)10-5-9-16(22)20(18)2/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,19,23)/t18-/m1/s1
InChIKeyWOHRBIIDOGFVII-GOSISDBHSA-N
MW315.42 g/mol
LogP3.00
Rot. Bonds1

About (6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide

(6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 97495385) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound Name(6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID97495385
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC[C@]2(CCCC(=O)N2C)C1
InChIInChI=1S/C18H25N3O2/c1-14-7-3-4-8-15(14)19-17(23)21-12-6-11-18(13-21)10-5-9-16(22)20(18)2/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,19,23)/t18-/m1/s1
InChIKeyWOHRBIIDOGFVII-GOSISDBHSA-N
XLogP3.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of (6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide (CID 97495385) is (6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for (6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for (6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide is Cc1ccccc1NC(=O)N1CCC[C@]2(CCCC(=O)N2C)C1.
What is the InChIKey of (6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is WOHRBIIDOGFVII-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-7-3-4-8-15(14)19-17(23)21-12-6-11-18(13-21)10-5-9-16(22)20(18)2/h3-4,7-8H,5-6,9-13H2,1-2H3,(H,19,23)/t18-/m1/s1.
What are the key properties of (6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide?
(6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 97495385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).