N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C15H17ClN2O4 — CID 701229

IUPACN-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC(=O)N1CCC2(CC1)OCCO2)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O4/c16-12-3-1-11(2-4-12)13(19)17-14(20)18-7-5-15(6-8-18)21-9-10-22-15/h1-4H,5-10H2,(H,17,19,20)
InChIKeyCQSIXIBJOYFFHU-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.03
Rot. Bonds1

About N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 701229) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID701229
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC NameN-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NC(=O)N1CCC2(CC1)OCCO2)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O4/c16-12-3-1-11(2-4-12)13(19)17-14(20)18-7-5-15(6-8-18)21-9-10-22-15/h1-4H,5-10H2,(H,17,19,20)
InChIKeyCQSIXIBJOYFFHU-UHFFFAOYSA-N
XLogP2.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 701229) is N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(NC(=O)N1CCC2(CC1)OCCO2)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is CQSIXIBJOYFFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c16-12-3-1-11(2-4-12)13(19)17-14(20)18-7-5-15(6-8-18)21-9-10-22-15/h1-4H,5-10H2,(H,17,19,20).
What are the key properties of N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 324.76 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 701229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).