9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide

C21H29N3O3 — CID 71161690

IUPAC9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide
SMILESCN1C(=O)C(=O)N(Cc2ccccc2)C(C(=O)NC(C)(C)C)C12CCCC2
InChIInChI=1S/C21H29N3O3/c1-20(2,3)22-17(25)16-21(12-8-9-13-21)23(4)18(26)19(27)24(16)14-15-10-6-5-7-11-15/h5-7,10-11,16H,8-9,12-14H2,1-4H3,(H,22,25)
InChIKeyWZPJTZHKUSEWHX-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.08
Rot. Bonds3

About 9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide

9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide (PubChem CID 71161690) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide.

Molecular Properties

Compound Name9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide
PubChem CID71161690
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide
SMILESCN1C(=O)C(=O)N(Cc2ccccc2)C(C(=O)NC(C)(C)C)C12CCCC2
InChIInChI=1S/C21H29N3O3/c1-20(2,3)22-17(25)16-21(12-8-9-13-21)23(4)18(26)19(27)24(16)14-15-10-6-5-7-11-15/h5-7,10-11,16H,8-9,12-14H2,1-4H3,(H,22,25)
InChIKeyWZPJTZHKUSEWHX-UHFFFAOYSA-N
XLogP2.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide 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

1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide
CID 122391556
1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide
CID 11774592
4-benzyl-N-tert-butyl-2,3-dioxo-1,5,6,7,8,8a-hexahydroquinoxaline-4a-carboxamide
CID 71162346
1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide
CID 11462603
2-benzyl-3-(tert-butylcarbamoyl)-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 150694577
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
(5S,6S,7R)-6-N-benzyl-2-N-tert-butyl-3-(4-hydroxybutyl)-4-oxo-10-thia-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23925402
(1S,2S,5R)-6-benzyl-N-tert-butyl-3-oxa-6-azabicyclo[3.1.1]heptane-2-carboxamide
CID 175950100
9-benzyl-8-tert-butyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887804
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 101333052
(5S,6R,7S)-6-N-benzyl-2-N-tert-butyl-3-(2-hydroxyethyl)-9-methyl-4-oxo-10-thia-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23812667

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide?
The IUPAC name of 9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide (CID 71161690) is 9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide.
What is the SMILES notation for 9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide?
The canonical SMILES for 9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide is CN1C(=O)C(=O)N(Cc2ccccc2)C(C(=O)NC(C)(C)C)C12CCCC2.
What is the InChIKey of 9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide?
The InChIKey is WZPJTZHKUSEWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-20(2,3)22-17(25)16-21(12-8-9-13-21)23(4)18(26)19(27)24(16)14-15-10-6-5-7-11-15/h5-7,10-11,16H,8-9,12-14H2,1-4H3,(H,22,25).
What are the key properties of 9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide?
9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide is sourced from PubChem (CID 71161690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).