3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide

C26H31N3O5 — CID 3507631

IUPAC3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
SMILESCOc1cccc(CC(=O)N2CCC3(CC2)CCN(C(=O)CNC(=O)C=Cc2ccco2)C3)c1
InChIInChI=1S/C26H31N3O5/c1-33-22-5-2-4-20(16-22)17-24(31)28-12-9-26(10-13-28)11-14-29(19-26)25(32)18-27-23(30)8-7-21-6-3-15-34-21/h2-8,15-16H,9-14,17-19H2,1H3,(H,27,30)
InChIKeyHSAUMOPJEGHVKJ-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.50
Rot. Bonds7

About 3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide

3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide (PubChem CID 3507631) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
PubChem CID3507631
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
SMILESCOc1cccc(CC(=O)N2CCC3(CC2)CCN(C(=O)CNC(=O)C=Cc2ccco2)C3)c1
InChIInChI=1S/C26H31N3O5/c1-33-22-5-2-4-20(16-22)17-24(31)28-12-9-26(10-13-28)11-14-29(19-26)25(32)18-27-23(30)8-7-21-6-3-15-34-21/h2-8,15-16H,9-14,17-19H2,1H3,(H,27,30)
InChIKeyHSAUMOPJEGHVKJ-UHFFFAOYSA-N
XLogP2.50
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(furan-2-yl)-N-[2-[8-(1-methylindole-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
CID 74227630
3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
CID 3720246
1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 3812253
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
3-(3-methoxyphenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 112534338
(3S)-2-acetyl-8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 96572387
2-(3-methoxyphenyl)-1-[2-[2-(4-pyridin-2-ylpyrimidin-2-yl)sulfanylacetyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 3800921
N-[(3-methoxyphenyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732371
(3R)-1-[2-(4-methoxyphenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087420
1-[2-(4-methoxyphenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117073
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide (CID 3507631) is 3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide is COc1cccc(CC(=O)N2CCC3(CC2)CCN(C(=O)CNC(=O)C=Cc2ccco2)C3)c1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide?
The InChIKey is HSAUMOPJEGHVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-33-22-5-2-4-20(16-22)17-24(31)28-12-9-26(10-13-28)11-14-29(19-26)25(32)18-27-23(30)8-7-21-6-3-15-34-21/h2-8,15-16H,9-14,17-19H2,1H3,(H,27,30).
What are the key properties of 3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide has a molecular weight of 465.55 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-[8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 3507631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).