N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide

C22H20N2O6 — CID 141026049

IUPACN-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide
SMILESCN1CCC(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC12OC(=O)C(=O)O2
InChIInChI=1S/C22H20N2O6/c1-24-11-10-16(13-22(24)29-20(27)21(28)30-22)18(25)15-8-5-9-17(12-15)23-19(26)14-6-3-2-4-7-14/h2-9,12,16H,10-11,13H2,1H3,(H,23,26)
InChIKeySLVUFUUZGLGZNC-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.22
Rot. Bonds4

About N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide

N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide (PubChem CID 141026049) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide
PubChem CID141026049
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC NameN-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide
SMILESCN1CCC(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC12OC(=O)C(=O)O2
InChIInChI=1S/C22H20N2O6/c1-24-11-10-16(13-22(24)29-20(27)21(28)30-22)18(25)15-8-5-9-17(12-15)23-19(26)14-6-3-2-4-7-14/h2-9,12,16H,10-11,13H2,1H3,(H,23,26)
InChIKeySLVUFUUZGLGZNC-UHFFFAOYSA-N
XLogP2.22
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 46387291
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Frequently Asked Questions

What is the IUPAC name of N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide?
The IUPAC name of N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide (CID 141026049) is N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide is CN1CCC(C(=O)c2cccc(NC(=O)c3ccccc3)c2)CC12OC(=O)C(=O)O2.
What is the InChIKey of N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide?
The InChIKey is SLVUFUUZGLGZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-24-11-10-16(13-22(24)29-20(27)21(28)30-22)18(25)15-8-5-9-17(12-15)23-19(26)14-6-3-2-4-7-14/h2-9,12,16H,10-11,13H2,1H3,(H,23,26).
What are the key properties of N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide?
N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide has a molecular weight of 408.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(10-methyl-2,3-dioxo-1,4-dioxa-10-azaspiro[4.5]decane-7-carbonyl)phenyl]benzamide is sourced from PubChem (CID 141026049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).