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

C14H18N2O3 — CID 2987051

IUPACN-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H18N2O3/c17-13(15-12-4-2-1-3-5-12)16-8-6-14(7-9-16)18-10-11-19-14/h1-5H,6-11H2,(H,15,17)
InChIKeyAUHKOCABXJMFIL-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.06
Rot. Bonds1

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

N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 2987051) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID2987051
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H18N2O3/c17-13(15-12-4-2-1-3-5-12)16-8-6-14(7-9-16)18-10-11-19-14/h1-5H,6-11H2,(H,15,17)
InChIKeyAUHKOCABXJMFIL-UHFFFAOYSA-N
XLogP2.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 2987051) is N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccccc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is AUHKOCABXJMFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(15-12-4-2-1-3-5-12)16-8-6-14(7-9-16)18-10-11-19-14/h1-5H,6-11H2,(H,15,17).
What are the key properties of N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 2987051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).