3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

C17H22N4O3 — CID 155900887

IUPAC3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC2)NC(=O)C(C)NC3=O)c1
InChIInChI=1S/C17H22N4O3/c1-11-4-3-5-13(10-11)19-16(24)21-8-6-17(7-9-21)15(23)18-12(2)14(22)20-17/h3-5,10,12H,6-9H2,1-2H3,(H,18,23)(H,19,24)(H,20,22)
InChIKeyXDTQDYXBQFTPAI-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.00
Rot. Bonds1

About 3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 155900887) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
PubChem CID155900887
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCc1cccc(NC(=O)N2CCC3(CC2)NC(=O)C(C)NC3=O)c1
InChIInChI=1S/C17H22N4O3/c1-11-4-3-5-13(10-11)19-16(24)21-8-6-17(7-9-21)15(23)18-12(2)14(22)20-17/h3-5,10,12H,6-9H2,1-2H3,(H,18,23)(H,19,24)(H,20,22)
InChIKeyXDTQDYXBQFTPAI-UHFFFAOYSA-N
XLogP1.00
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-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

3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847
1,6-dimethyl-N-(3-methylphenyl)-4-oxospiro[3H-quinazoline-2,4'-piperidine]-1'-carboxamide
CID 53169561
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
2-(cyclopropylmethyl)-N-(3-methylphenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 97472874
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
1-[(3-methylphenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982829
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
7-chloro-N-(3-methylphenyl)-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46169529

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 155900887) is 3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is Cc1cccc(NC(=O)N2CCC3(CC2)NC(=O)C(C)NC3=O)c1.
What is the InChIKey of 3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is XDTQDYXBQFTPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-4-3-5-13(10-11)19-16(24)21-8-6-17(7-9-21)15(23)18-12(2)14(22)20-17/h3-5,10,12H,6-9H2,1-2H3,(H,18,23)(H,19,24)(H,20,22).
What are the key properties of 3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylphenyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 155900887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).