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

C17H21N3O3 — CID 91249127

IUPAC8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCC(=O)N1CCC2(C=C(C(=O)NCc3ccccc3)NO2)CC1
InChIInChI=1S/C17H21N3O3/c1-13(21)20-9-7-17(8-10-20)11-15(19-23-17)16(22)18-12-14-5-3-2-4-6-14/h2-6,11,19H,7-10,12H2,1H3,(H,18,22)
InChIKeyXJZCVBBCQTXBOR-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.10
Rot. Bonds3

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

8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91249127) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
PubChem CID91249127
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
SMILESCC(=O)N1CCC2(C=C(C(=O)NCc3ccccc3)NO2)CC1
InChIInChI=1S/C17H21N3O3/c1-13(21)20-9-7-17(8-10-20)11-15(19-23-17)16(22)18-12-14-5-3-2-4-6-14/h2-6,11,19H,7-10,12H2,1H3,(H,18,22)
InChIKeyXJZCVBBCQTXBOR-UHFFFAOYSA-N
XLogP1.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The IUPAC name of 8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91249127) is 8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.
What is the SMILES notation for 8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The canonical SMILES for 8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is CC(=O)N1CCC2(C=C(C(=O)NCc3ccccc3)NO2)CC1.
What is the InChIKey of 8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
The InChIKey is XJZCVBBCQTXBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13(21)20-9-7-17(8-10-20)11-15(19-23-17)16(22)18-12-14-5-3-2-4-6-14/h2-6,11,19H,7-10,12H2,1H3,(H,18,22).
What are the key properties of 8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?
8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91249127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).