N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C15H19N3O2 — CID 91488210

IUPACN-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1ccccc1)C1=CC2(CCNCC2)ON1
InChIInChI=1S/C15H19N3O2/c19-14(17-11-12-4-2-1-3-5-12)13-10-15(20-18-13)6-8-16-9-7-15/h1-5,10,16,18H,6-9,11H2,(H,17,19)
InChIKeyOJHZNWQVAAUONV-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.84
Rot. Bonds3

About N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91488210) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91488210
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESO=C(NCc1ccccc1)C1=CC2(CCNCC2)ON1
InChIInChI=1S/C15H19N3O2/c19-14(17-11-12-4-2-1-3-5-12)13-10-15(20-18-13)6-8-16-9-7-15/h1-5,10,16,18H,6-9,11H2,(H,17,19)
InChIKeyOJHZNWQVAAUONV-UHFFFAOYSA-N
XLogP0.84
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-Benzyl-6-(phenylmethylene)tetrahydro-2,5-pyrazinedione
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2-(3-acetamido-2-oxo-1-pyridinyl)-N-benzylacetamide
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(E)-N-[(1-benzylpiperidin-4-yl)methyl]-3-hydroxy-2-nitrosobut-2-enamide
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8-(4-fluorobenzoyl)-N-(2-methylpropyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90884971
N-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 90911012

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91488210) is N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is O=C(NCc1ccccc1)C1=CC2(CCNCC2)ON1.
What is the InChIKey of N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is OJHZNWQVAAUONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14(17-11-12-4-2-1-3-5-12)13-10-15(20-18-13)6-8-16-9-7-15/h1-5,10,16,18H,6-9,11H2,(H,17,19).
What are the key properties of N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91488210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).