2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

C21H30N4O3 — CID 110167461

IUPAC2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CN3CCC4(CC3)COC(C)(C)C4)ccc21
InChIInChI=1S/C21H30N4O3/c1-20(2)13-21(14-28-20)7-9-25(10-8-21)12-18(26)22-15-5-6-16-17(11-15)24(4)19(27)23(16)3/h5-6,11H,7-10,12-14H2,1-4H3,(H,22,26)
InChIKeyVUBWWNHILCGXSI-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.10
Rot. Bonds3

About 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 110167461) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID110167461
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CN3CCC4(CC3)COC(C)(C)C4)ccc21
InChIInChI=1S/C21H30N4O3/c1-20(2)13-21(14-28-20)7-9-25(10-8-21)12-18(26)22-15-5-6-16-17(11-15)24(4)19(27)23(16)3/h5-6,11H,7-10,12-14H2,1-4H3,(H,22,26)
InChIKeyVUBWWNHILCGXSI-UHFFFAOYSA-N
XLogP2.10
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (CID 110167461) is 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is Cn1c(=O)n(C)c2cc(NC(=O)CN3CCC4(CC3)COC(C)(C)C4)ccc21.
What is the InChIKey of 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is VUBWWNHILCGXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-20(2)13-21(14-28-20)7-9-25(10-8-21)12-18(26)22-15-5-6-16-17(11-15)24(4)19(27)23(16)3/h5-6,11H,7-10,12-14H2,1-4H3,(H,22,26).
What are the key properties of 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110167461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).