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

C19H25N3O4 — CID 97208271

IUPAC(4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c(C)c1
InChIInChI=1S/C19H25N3O4/c1-12-4-5-15(13(2)10-12)20-18(26)22-8-6-19(7-9-22)14(17(24)25)11-16(23)21(19)3/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,26)(H,24,25)/t14-/m0/s1
InChIKeyALJRHYBEXSPPAQ-AWEZNQCLSA-N
MW359.43 g/mol
LogP2.23
Rot. Bonds2

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

(4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97208271) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID97208271
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c(C)c1
InChIInChI=1S/C19H25N3O4/c1-12-4-5-15(13(2)10-12)20-18(26)22-8-6-19(7-9-22)14(17(24)25)11-16(23)21(19)3/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,26)(H,24,25)/t14-/m0/s1
InChIKeyALJRHYBEXSPPAQ-AWEZNQCLSA-N
XLogP2.23
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2,4-dimethylphenyl)sulfonyl-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72906878
8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72886739
N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 5000469
N-(2,4-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111461
N-(2,4-dimethylphenyl)-6,7-difluoro-4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxamide
CID 46077885
N-(2,4-dimethylphenyl)-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 42774063
2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-methylbenzoic acid
CID 62931539
N-(2,4-dimethylphenyl)-4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidine-1-carboxamide
CID 42210994
N-(2,4-dimethylphenyl)-2-[5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3829631
N-(2,4-dimethylphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide
CID 46335237
N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336021
N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111479

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97208271) is (4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1ccc(NC(=O)N2CCC3(CC2)[C@H](C(=O)O)CC(=O)N3C)c(C)c1.
What is the InChIKey of (4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is ALJRHYBEXSPPAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-4-5-15(13(2)10-12)20-18(26)22-8-6-19(7-9-22)14(17(24)25)11-16(23)21(19)3/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,26)(H,24,25)/t14-/m0/s1.
What are the key properties of (4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[(2,4-dimethylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97208271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).