8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C27H35N3O6 — CID 72949195

IUPAC8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(C=CC2=C1COC2=O)C(CN3CCC4(CC3)CCN(C4=O)C5=C(C(=O)OC5)C)NCCOC
InChIInChI=1S/C27H35N3O6/c1-17-19(4-5-20-21(17)15-35-25(20)32)22(28-9-13-34-3)14-29-10-6-27(7-11-29)8-12-30(26(27)33)23-16-36-24(31)18(23)2/h4-5,22,28H,6-16H2,1-3H3
InChIKeyNGYUONCEHPWRSN-UHFFFAOYSA-N
MW497.60 g/mol
LogP0.90
Rot. Bonds8

About 8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 72949195) has the molecular formula C27H35N3O6 and a molecular weight of 497.60 g/mol. Its IUPAC name is 8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID72949195
Molecular FormulaC27H35N3O6
Molecular Weight497.60 g/mol
Exact Mass497.25
IUPAC Name8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1=C(C=CC2=C1COC2=O)C(CN3CCC4(CC3)CCN(C4=O)C5=C(C(=O)OC5)C)NCCOC
InChIInChI=1S/C27H35N3O6/c1-17-19(4-5-20-21(17)15-35-25(20)32)22(28-9-13-34-3)14-29-10-6-27(7-11-29)8-12-30(26(27)33)23-16-36-24(31)18(23)2/h4-5,22,28H,6-16H2,1-3H3
InChIKeyNGYUONCEHPWRSN-UHFFFAOYSA-N
XLogP0.90
TPSA97.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity911

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 72949195) is 8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is CC1=C(C=CC2=C1COC2=O)C(CN3CCC4(CC3)CCN(C4=O)C5=C(C(=O)OC5)C)NCCOC.
What is the InChIKey of 8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NGYUONCEHPWRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O6/c1-17-19(4-5-20-21(17)15-35-25(20)32)22(28-9-13-34-3)14-29-10-6-27(7-11-29)8-12-30(26(27)33)23-16-36-24(31)18(23)2/h4-5,22,28H,6-16H2,1-3H3.
What are the key properties of 8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 497.60 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methoxyethylamino)-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 72949195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).