N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C15H18N2O4 — CID 701194

IUPACN-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC(=O)N1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C15H18N2O4/c18-13(12-4-2-1-3-5-12)16-14(19)17-8-6-15(7-9-17)20-10-11-21-15/h1-5H,6-11H2,(H,16,18,19)
InChIKeyIDPDNGQKORDYCV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.38
Rot. Bonds1

About N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 701194) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID701194
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC(=O)N1CCC2(CC1)OCCO2)c1ccccc1
InChIInChI=1S/C15H18N2O4/c18-13(12-4-2-1-3-5-12)16-14(19)17-8-6-15(7-9-17)20-10-11-21-15/h1-5H,6-11H2,(H,16,18,19)
InChIKeyIDPDNGQKORDYCV-UHFFFAOYSA-N
XLogP1.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 701194) is N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(NC(=O)N1CCC2(CC1)OCCO2)c1ccccc1.
What is the InChIKey of N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is IDPDNGQKORDYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-13(12-4-2-1-3-5-12)16-14(19)17-8-6-15(7-9-17)20-10-11-21-15/h1-5H,6-11H2,(H,16,18,19).
What are the key properties of N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 701194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).