2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide

C26H32N2O4 — CID 53184573

IUPAC2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CN(C(=O)c3ccccc3)CC23CCCCC3)c1OC
InChIInChI=1S/C26H32N2O4/c1-31-22-13-9-12-20(23(22)32-2)16-27-24(29)21-17-28(18-26(21)14-7-4-8-15-26)25(30)19-10-5-3-6-11-19/h3,5-6,9-13,21H,4,7-8,14-18H2,1-2H3,(H,27,29)
InChIKeyLDYGEMSKHZICOL-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.04
Rot. Bonds6

About 2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide

2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53184573) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53184573
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CN(C(=O)c3ccccc3)CC23CCCCC3)c1OC
InChIInChI=1S/C26H32N2O4/c1-31-22-13-9-12-20(23(22)32-2)16-27-24(29)21-17-28(18-26(21)14-7-4-8-15-26)25(30)19-10-5-3-6-11-19/h3,5-6,9-13,21H,4,7-8,14-18H2,1-2H3,(H,27,29)
InChIKeyLDYGEMSKHZICOL-UHFFFAOYSA-N
XLogP4.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide (CID 53184573) is 2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide is COc1cccc(CNC(=O)C2CN(C(=O)c3ccccc3)CC23CCCCC3)c1OC.
What is the InChIKey of 2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is LDYGEMSKHZICOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-31-22-13-9-12-20(23(22)32-2)16-27-24(29)21-17-28(18-26(21)14-7-4-8-15-26)25(30)19-10-5-3-6-11-19/h3,5-6,9-13,21H,4,7-8,14-18H2,1-2H3,(H,27,29).
What are the key properties of 2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[(2,3-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53184573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).