4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione

C24H32N2O5 — CID 127049874

IUPAC4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione
SMILESCOc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCCC3)c(OC)c1
InChIInChI=1S/C24H32N2O5/c1-30-18-11-12-19(20(15-18)31-2)22(28)25-16-21(27)26(17-9-5-3-6-10-17)23(29)24(25)13-7-4-8-14-24/h11-12,15,17H,3-10,13-14,16H2,1-2H3
InChIKeyOJUJXALDCMFXLO-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.55
Rot. Bonds4

About 4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione

4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione (PubChem CID 127049874) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione.

Molecular Properties

Compound Name4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione
PubChem CID127049874
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione
SMILESCOc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCCC3)c(OC)c1
InChIInChI=1S/C24H32N2O5/c1-30-18-11-12-19(20(15-18)31-2)22(28)25-16-21(27)26(17-9-5-3-6-10-17)23(29)24(25)13-7-4-8-14-24/h11-12,15,17H,3-10,13-14,16H2,1-2H3
InChIKeyOJUJXALDCMFXLO-UHFFFAOYSA-N
XLogP3.55
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione?
The IUPAC name of 4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione (CID 127049874) is 4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione.
What is the SMILES notation for 4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione?
The canonical SMILES for 4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione is COc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCCCC3)c(OC)c1.
What is the InChIKey of 4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione?
The InChIKey is OJUJXALDCMFXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-30-18-11-12-19(20(15-18)31-2)22(28)25-16-21(27)26(17-9-5-3-6-10-17)23(29)24(25)13-7-4-8-14-24/h11-12,15,17H,3-10,13-14,16H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione?
4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione has a molecular weight of 428.53 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(2,4-dimethoxybenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione is sourced from PubChem (CID 127049874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).