(5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

C21H22N2O4 — CID 96578508

IUPAC(5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCc1ccc(-c2ccc(CCC(=O)N3CC[C@]4(CC(=O)NC4=O)C3)o2)cc1
InChIInChI=1S/C21H22N2O4/c1-14-2-4-15(5-3-14)17-8-6-16(27-17)7-9-19(25)23-11-10-21(13-23)12-18(24)22-20(21)26/h2-6,8H,7,9-13H2,1H3,(H,22,24,26)/t21-/m0/s1
InChIKeyDPOGVANBOADGIL-NRFANRHFSA-N
MW366.42 g/mol
LogP2.45
Rot. Bonds4

About (5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

(5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 96578508) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name(5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID96578508
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCc1ccc(-c2ccc(CCC(=O)N3CC[C@]4(CC(=O)NC4=O)C3)o2)cc1
InChIInChI=1S/C21H22N2O4/c1-14-2-4-15(5-3-14)17-8-6-16(27-17)7-9-19(25)23-11-10-21(13-23)12-18(24)22-20(21)26/h2-6,8H,7,9-13H2,1H3,(H,22,24,26)/t21-/m0/s1
InChIKeyDPOGVANBOADGIL-NRFANRHFSA-N
XLogP2.45
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 120809401
7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70738862
5-methyl-5-[1-[3-(5-phenylfuran-2-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 91643956
3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 126433190
7-[3-(4-chloropyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70770814
7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70775890
3-(5-phenylfuran-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 22587446
7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70719104
(5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 96579065
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 120807583
(5S)-7-[2-(1-methylindol-3-yl)sulfanylacetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 96574272
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(5-phenylfuran-2-yl)propan-1-one
CID 27041646

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of (5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 96578508) is (5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for (5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for (5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is Cc1ccc(-c2ccc(CCC(=O)N3CC[C@]4(CC(=O)NC4=O)C3)o2)cc1.
What is the InChIKey of (5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is DPOGVANBOADGIL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-2-4-15(5-3-14)17-8-6-16(27-17)7-9-19(25)23-11-10-21(13-23)12-18(24)22-20(21)26/h2-6,8H,7,9-13H2,1H3,(H,22,24,26)/t21-/m0/s1.
What are the key properties of (5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
(5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 366.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 96578508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).