(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium

C26H34N3O2+ — CID 9460381

IUPAC(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium
SMILESO=C1NC2(CCCCCC2)C(=O)N1C[NH+](CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C26H33N3O2/c30-24-26(17-9-1-2-10-18-26)27-25(31)29(24)21-28(19-15-22-11-5-3-6-12-22)20-16-23-13-7-4-8-14-23/h3-8,11-14H,1-2,9-10,15-21H2,(H,27,31)/p+1
InChIKeyKGLLLSZCSYTNRN-UHFFFAOYSA-O
MW420.58 g/mol
LogP2.96
Rot. Bonds8

About (2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium

(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium (PubChem CID 9460381) has the molecular formula C26H34N3O2+ and a molecular weight of 420.58 g/mol. Its IUPAC name is (2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium.

Molecular Properties

Compound Name(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium
PubChem CID9460381
Molecular FormulaC26H34N3O2+
Molecular Weight420.58 g/mol
Exact Mass420.26
IUPAC Name(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium
SMILESO=C1NC2(CCCCCC2)C(=O)N1C[NH+](CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C26H33N3O2/c30-24-26(17-9-1-2-10-18-26)27-25(31)29(24)21-28(19-15-22-11-5-3-6-12-22)20-16-23-13-7-4-8-14-23/h3-8,11-14H,1-2,9-10,15-21H2,(H,27,31)/p+1
InChIKeyKGLLLSZCSYTNRN-UHFFFAOYSA-O
XLogP2.96
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 55484424
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
cyclopropyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-[(4-fluorophenyl)methyl]azanium
CID 9285758
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 163355113
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135751657
3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7480002
3-(4-phenylbutyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 114334567
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738

Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium?
The IUPAC name of (2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium (CID 9460381) is (2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium.
What is the SMILES notation for (2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium?
The canonical SMILES for (2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium is O=C1NC2(CCCCCC2)C(=O)N1C[NH+](CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of (2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium?
The InChIKey is KGLLLSZCSYTNRN-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H33N3O2/c30-24-26(17-9-1-2-10-18-26)27-25(31)29(24)21-28(19-15-22-11-5-3-6-12-22)20-16-23-13-7-4-8-14-23/h3-8,11-14H,1-2,9-10,15-21H2,(H,27,31)/p+1.
What are the key properties of (2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium?
(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium has a molecular weight of 420.58 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium is sourced from PubChem (CID 9460381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).