1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C29H32N4O2 — CID 26146896

IUPAC1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc(N(C)c4ccccc4)cc3)CC2)C1=O
InChIInChI=1S/C29H32N4O2/c1-30(25-11-7-4-8-12-25)26-15-13-24(14-16-26)21-32-19-17-29(18-20-32)27(34)31(2)28(35)33(29)22-23-9-5-3-6-10-23/h3-16H,17-22H2,1-2H3
InChIKeyQRIRRZRPBDVLHJ-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.88
Rot. Bonds6

About 1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26146896) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26146896
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc(N(C)c4ccccc4)cc3)CC2)C1=O
InChIInChI=1S/C29H32N4O2/c1-30(25-11-7-4-8-12-25)26-15-13-24(14-16-26)21-32-19-17-29(18-20-32)27(34)31(2)28(35)33(29)22-23-9-5-3-6-10-23/h3-16H,17-22H2,1-2H3
InChIKeyQRIRRZRPBDVLHJ-UHFFFAOYSA-N
XLogP4.88
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670
8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428469
1-[2-(4-methoxyphenyl)ethyl]-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26226545
1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213967
1-benzyl-3-methyl-8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418741
1-benzyl-3-methyl-8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165421538
8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26227109
1-benzyl-3-methyl-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165420624
8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 166598743
1-benzyl-8-[[4-(furan-2-yl)phenyl]methyl]-3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26232504
1-benzyl-8-[6-(methoxymethyl)pyrimidin-4-yl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419738
1-benzyl-3-methyl-8-(1-methylimidazole-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427381

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26146896) is 1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc(N(C)c4ccccc4)cc3)CC2)C1=O.
What is the InChIKey of 1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is QRIRRZRPBDVLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-30(25-11-7-4-8-12-25)26-15-13-24(14-16-26)21-32-19-17-29(18-20-32)27(34)31(2)28(35)33(29)22-23-9-5-3-6-10-23/h3-16H,17-22H2,1-2H3.
What are the key properties of 1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 468.60 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26146896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).