(5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide

C16H19N3O3 — CID 96579065

IUPAC(5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CC[C@]3(CC(=O)NC3=O)C2)c1
InChIInChI=1S/C16H19N3O3/c1-10-3-4-11(2)12(7-10)17-15(22)19-6-5-16(9-19)8-13(20)18-14(16)21/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,20,21)/t16-/m0/s1
InChIKeyOSYWZYAWLKRDHK-INIZCTEOSA-N
MW301.35 g/mol
LogP1.57
Rot. Bonds1

About (5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide

(5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 96579065) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID96579065
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CC[C@]3(CC(=O)NC3=O)C2)c1
InChIInChI=1S/C16H19N3O3/c1-10-3-4-11(2)12(7-10)17-15(22)19-6-5-16(9-19)8-13(20)18-14(16)21/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,20,21)/t16-/m0/s1
InChIKeyOSYWZYAWLKRDHK-INIZCTEOSA-N
XLogP1.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72886739
1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135826
N-(2,5-dimethylphenyl)-1-propanoylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
CID 175738013
N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide
CID 69203446
N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 163311389
methyl 4-carbamothioyl-1-[(2,5-dimethylphenyl)carbamoyl]piperidine-4-carboxylate
CID 125499527
N-(2,5-dimethylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23829397
(4aS,8aR)-N-(2,5-dimethylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51943981
N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682
4-(aminosulfanylmethyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 141244559
(5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 97276888
N-(2,5-dimethylphenyl)-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 3680055

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide (CID 96579065) is (5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide is Cc1ccc(C)c(NC(=O)N2CC[C@]3(CC(=O)NC3=O)C2)c1.
What is the InChIKey of (5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is OSYWZYAWLKRDHK-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-3-4-11(2)12(7-10)17-15(22)19-6-5-16(9-19)8-13(20)18-14(16)21/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,20,21)/t16-/m0/s1.
What are the key properties of (5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide?
(5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 96579065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).