1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione

C24H33N5O6 — CID 155989812

IUPAC1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CC1(CCCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC1)O2
InChIInChI=1S/C24H33N5O6/c1-26-18(31)16-15-23(35-19(16)27(2)22(26)34)8-6-12-28(14-11-23)17(30)7-5-13-29-20(32)24(25-21(29)33)9-3-4-10-24/h3-15H2,1-2H3,(H,25,33)
InChIKeyMAMFRXMFMFAQRA-UHFFFAOYSA-N
MW487.56 g/mol
LogP0.41
Rot. Bonds4

About 1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione

1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione (PubChem CID 155989812) has the molecular formula C24H33N5O6 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione.

Molecular Properties

Compound Name1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione
PubChem CID155989812
Molecular FormulaC24H33N5O6
Molecular Weight487.56 g/mol
Exact Mass487.24
IUPAC Name1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CC1(CCCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC1)O2
InChIInChI=1S/C24H33N5O6/c1-26-18(31)16-15-23(35-19(16)27(2)22(26)34)8-6-12-28(14-11-23)17(30)7-5-13-29-20(32)24(25-21(29)33)9-3-4-10-24/h3-15H2,1-2H3,(H,25,33)
InChIKeyMAMFRXMFMFAQRA-UHFFFAOYSA-N
XLogP0.41
TPSA122.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione?
The IUPAC name of 1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione (CID 155989812) is 1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione.
What is the SMILES notation for 1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione?
The canonical SMILES for 1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CC1(CCCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC1)O2.
What is the InChIKey of 1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione?
The InChIKey is MAMFRXMFMFAQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O6/c1-26-18(31)16-15-23(35-19(16)27(2)22(26)34)8-6-12-28(14-11-23)17(30)7-5-13-29-20(32)24(25-21(29)33)9-3-4-10-24/h3-15H2,1-2H3,(H,25,33).
What are the key properties of 1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione?
1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione has a molecular weight of 487.56 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione is sourced from PubChem (CID 155989812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).