8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H23N3O4 — CID 72886739

IUPAC8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ccc(C)c(NC(=O)N2CCC3(CC2)NC(=O)CC3C(=O)O)c1
InChIInChI=1S/C18H23N3O4/c1-11-3-4-12(2)14(9-11)19-17(25)21-7-5-18(6-8-21)13(16(23)24)10-15(22)20-18/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeyFPFKWEROHSUJNG-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.89
Rot. Bonds2

About 8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72886739) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72886739
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ccc(C)c(NC(=O)N2CCC3(CC2)NC(=O)CC3C(=O)O)c1
InChIInChI=1S/C18H23N3O4/c1-11-3-4-12(2)14(9-11)19-17(25)21-7-5-18(6-8-21)13(16(23)24)10-15(22)20-18/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeyFPFKWEROHSUJNG-UHFFFAOYSA-N
XLogP1.89
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

(5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 96579065
(4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207799
(4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97208271
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
4-(aminosulfanylmethyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 141244559
1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135826
4-(2,4-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111591
4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111598
(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-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111579

Frequently Asked Questions

What is the IUPAC name of 8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72886739) is 8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1ccc(C)c(NC(=O)N2CCC3(CC2)NC(=O)CC3C(=O)O)c1.
What is the InChIKey of 8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is FPFKWEROHSUJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11-3-4-12(2)14(9-11)19-17(25)21-7-5-18(6-8-21)13(16(23)24)10-15(22)20-18/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,25)(H,20,22)(H,23,24).
What are the key properties of 8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72886739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).