(5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide

C18H25N5O3 — CID 97438924

IUPAC(5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)Nc2ccccc2)C[C@@]2(CNC(=O)C2)C1
InChIInChI=1S/C18H25N5O3/c1-21(2)17(26)23-9-8-22(12-18(13-23)10-15(24)19-11-18)16(25)20-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,19,24)(H,20,25)/t18-/m1/s1
InChIKeyNUVSXCOCMXULIB-GOSISDBHSA-N
MW359.43 g/mol
LogP1.02
Rot. Bonds1

About (5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide

(5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide (PubChem CID 97438924) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide.

Molecular Properties

Compound Name(5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
PubChem CID97438924
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)Nc2ccccc2)C[C@@]2(CNC(=O)C2)C1
InChIInChI=1S/C18H25N5O3/c1-21(2)17(26)23-9-8-22(12-18(13-23)10-15(24)19-11-18)16(25)20-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,19,24)(H,20,25)/t18-/m1/s1
InChIKeyNUVSXCOCMXULIB-GOSISDBHSA-N
XLogP1.02
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide with MolForge

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Related Compounds

7-N-(3-methoxyphenyl)-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 131654402
(5S)-7-N-[(3-methoxyphenyl)methyl]-10-N,10-N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide
CID 97438931
(5S)-7-(3-chlorobenzoyl)-N,N-dimethyl-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438915
(5R)-N-benzyl-7-(2-methylpropanoyl)-3-oxo-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438905
(5S)-7-acetyl-2-methyl-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97438969
(5S)-N-methyl-3-oxo-7-(pyridine-2-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97398896
(5S)-7-(1-methylpyrrole-2-carbonyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360042
6-ethyl-8-oxo-N-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131645592
2-methyl-3-oxo-N-phenyl-7-(pyridine-4-carbonyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 134070068
(5S)-2-methyl-7-(3-methylbutanoyl)-3-oxo-N-phenyl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 98634691
(5S)-3-oxo-N-propan-2-yl-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97360036
N-methyl-3-oxo-7-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 131657857

Frequently Asked Questions

What is the IUPAC name of (5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The IUPAC name of (5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide (CID 97438924) is (5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide.
What is the SMILES notation for (5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The canonical SMILES for (5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide is CN(C)C(=O)N1CCN(C(=O)Nc2ccccc2)C[C@@]2(CNC(=O)C2)C1.
What is the InChIKey of (5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
The InChIKey is NUVSXCOCMXULIB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-21(2)17(26)23-9-8-22(12-18(13-23)10-15(24)19-11-18)16(25)20-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,19,24)(H,20,25)/t18-/m1/s1.
What are the key properties of (5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide?
(5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-10-N,10-N-dimethyl-3-oxo-7-N-phenyl-2,7,10-triazaspiro[4.6]undecane-7,10-dicarboxamide is sourced from PubChem (CID 97438924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).