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

C15H20N2O3 — CID 3729330

IUPACN-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O3/c18-14(16-12-13-4-2-1-3-5-13)17-8-6-15(7-9-17)19-10-11-20-15/h1-5H,6-12H2,(H,16,18)
InChIKeyPWPYIKWULOCDGQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds2

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

N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 3729330) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID3729330
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O3/c18-14(16-12-13-4-2-1-3-5-13)17-8-6-15(7-9-17)19-10-11-20-15/h1-5H,6-12H2,(H,16,18)
InChIKeyPWPYIKWULOCDGQ-UHFFFAOYSA-N
XLogP1.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoacetamide
CID 44901827
4-[(1,5-dioxa-9-azaspiro[5.5]undecane-9-carbonylamino)methyl]benzoic acid
CID 122020091
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-[(2R)-2-[benzyl(methyl)amino]propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 95765261
N-benzylazonane-1-carboxamide
CID 130689649
N-[(2-chlorophenyl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3851823
N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 56799710
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
N-[(3R)-3-phenylbutyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 94816549
7-acetyl-N-benzyl-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 97472653
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
N-(thiophen-2-ylmethyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 71785150

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 3729330) is N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is O=C(NCc1ccccc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is PWPYIKWULOCDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(16-12-13-4-2-1-3-5-13)17-8-6-15(7-9-17)19-10-11-20-15/h1-5H,6-12H2,(H,16,18).
What are the key properties of N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3729330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).