3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide

C22H24N2O5 — CID 109055730

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C22H24N2O5/c1-27-19-8-3-2-7-18(19)23-20(25)16-5-4-6-17(15-16)21(26)24-11-9-22(10-12-24)28-13-14-29-22/h2-8,15H,9-14H2,1H3,(H,23,25)
InChIKeyOSXIRPGTODSUEK-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.93
Rot. Bonds4

About 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide

3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide (PubChem CID 109055730) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide
PubChem CID109055730
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C22H24N2O5/c1-27-19-8-3-2-7-18(19)23-20(25)16-5-4-6-17(15-16)21(26)24-11-9-22(10-12-24)28-13-14-29-22/h2-8,15H,9-14H2,1H3,(H,23,25)
InChIKeyOSXIRPGTODSUEK-UHFFFAOYSA-N
XLogP2.93
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109088591
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide
CID 109055728
3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109056708
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
N-(2-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103826
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
CID 57224433
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 109053830
2-[3-(carbamothioylamino)benzoyl]-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 74229495
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]methanone
CID 109261615
methyl 2-[[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]benzoate
CID 109174012
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
CID 17250139

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide (CID 109055730) is 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide?
The InChIKey is OSXIRPGTODSUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-27-19-8-3-2-7-18(19)23-20(25)16-5-4-6-17(15-16)21(26)24-11-9-22(10-12-24)28-13-14-29-22/h2-8,15H,9-14H2,1H3,(H,23,25).
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide?
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide has a molecular weight of 396.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 109055730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).