9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione

C29H35N3O3 — CID 127051043

IUPAC9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione
SMILESCc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCN(Cc2ccccc2)CC3)cc1
InChIInChI=1S/C29H35N3O3/c1-22-12-14-24(15-13-22)27(34)31-21-26(33)32(25-10-6-3-7-11-25)28(35)29(31)16-18-30(19-17-29)20-23-8-4-2-5-9-23/h2,4-5,8-9,12-15,25H,3,6-7,10-11,16-21H2,1H3
InChIKeyDQMQUKUXAXPUCX-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.17
Rot. Bonds4

About 9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione

9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione (PubChem CID 127051043) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione.

Molecular Properties

Compound Name9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione
PubChem CID127051043
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione
SMILESCc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCN(Cc2ccccc2)CC3)cc1
InChIInChI=1S/C29H35N3O3/c1-22-12-14-24(15-13-22)27(34)31-21-26(33)32(25-10-6-3-7-11-25)28(35)29(31)16-18-30(19-17-29)20-23-8-4-2-5-9-23/h2,4-5,8-9,12-15,25H,3,6-7,10-11,16-21H2,1H3
InChIKeyDQMQUKUXAXPUCX-UHFFFAOYSA-N
XLogP4.17
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione?
The IUPAC name of 9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione (CID 127051043) is 9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione.
What is the SMILES notation for 9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione?
The canonical SMILES for 9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione is Cc1ccc(C(=O)N2CC(=O)N(C3CCCCC3)C(=O)C23CCN(Cc2ccccc2)CC3)cc1.
What is the InChIKey of 9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione?
The InChIKey is DQMQUKUXAXPUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-22-12-14-24(15-13-22)27(34)31-21-26(33)32(25-10-6-3-7-11-25)28(35)29(31)16-18-30(19-17-29)20-23-8-4-2-5-9-23/h2,4-5,8-9,12-15,25H,3,6-7,10-11,16-21H2,1H3.
What are the key properties of 9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione?
9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione has a molecular weight of 473.62 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-4-cyclohexyl-1-(4-methylbenzoyl)-1,4,9-triazaspiro[5.5]undecane-3,5-dione is sourced from PubChem (CID 127051043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).