tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

C24H32N6O6 — CID 135382848

IUPACtert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCN1C(=O)N(c2ccc3c(c2)nnn3C(=O)OC(C)(C)C)C2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C24H32N6O6/c1-22(2,3)35-20(33)28-12-10-24(11-13-28)18(31)27(7)19(32)29(24)15-8-9-17-16(14-15)25-26-30(17)21(34)36-23(4,5)6/h8-9,14H,10-13H2,1-7H3
InChIKeyBJPJZNZKENZJRU-UHFFFAOYSA-N
MW500.56 g/mol
LogP3.38
Rot. Bonds1

About tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate (PubChem CID 135382848) has the molecular formula C24H32N6O6 and a molecular weight of 500.56 g/mol. Its IUPAC name is tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
PubChem CID135382848
Molecular FormulaC24H32N6O6
Molecular Weight500.56 g/mol
Exact Mass500.24
IUPAC Nametert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCN1C(=O)N(c2ccc3c(c2)nnn3C(=O)OC(C)(C)C)C2(CCN(C(=O)OC(C)(C)C)CC2)C1=O
InChIInChI=1S/C24H32N6O6/c1-22(2,3)35-20(33)28-12-10-24(11-13-28)18(31)27(7)19(32)29(24)15-8-9-17-16(14-15)25-26-30(17)21(34)36-23(4,5)6/h8-9,14H,10-13H2,1-7H3
InChIKeyBJPJZNZKENZJRU-UHFFFAOYSA-N
XLogP3.38
TPSA127.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 1-(1,3-benzoxazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 118425108
tert-butyl 5-formylbenzotriazole-1-carboxylate
CID 11637374
1-O-tert-butyl 5-O-methyl benzotriazole-1,5-dicarboxylate;1-O-tert-butyl 6-O-methyl benzotriazole-1,6-dicarboxylate
CID 162068541
tert-butyl 2,4-dioxo-1-(1-phenylmethoxycarbonylindazol-5-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 129205972
4-[9-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-11-oxa-3,7,9-triazaspiro[5.6]dodecan-7-yl]benzoic acid
CID 139342235
tert-butyl 1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 151169776
tert-butyl 1-(4-nitrophenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 118425079
tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 130449700
tert-butyl 9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 170979647
tert-butyl 4-[4-(2,5-dimethylpyrrol-1-yl)-2-methylphenyl]-4-hydroxypiperidine-1-carboxylate
CID 67170370
1-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indole-2-carboxylic acid
CID 83972205
tert-butyl 3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 59688382

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate (CID 135382848) is tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate is CN1C(=O)N(c2ccc3c(c2)nnn3C(=O)OC(C)(C)C)C2(CCN(C(=O)OC(C)(C)C)CC2)C1=O.
What is the InChIKey of tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
The InChIKey is BJPJZNZKENZJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O6/c1-22(2,3)35-20(33)28-12-10-24(11-13-28)18(31)27(7)19(32)29(24)15-8-9-17-16(14-15)25-26-30(17)21(34)36-23(4,5)6/h8-9,14H,10-13H2,1-7H3.
What are the key properties of tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate has a molecular weight of 500.56 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzotriazol-5-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 135382848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).