1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C19H25N3O4 — CID 72845312

IUPAC1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ccc(CNC(=O)N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)cc1
InChIInChI=1S/C19H25N3O4/c1-13-3-5-14(6-4-13)12-20-18(26)22-9-7-19(8-10-22)15(17(24)25)11-16(23)21(19)2/h3-6,15H,7-12H2,1-2H3,(H,20,26)(H,24,25)
InChIKeyOTJBYLQFMLCKOF-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.60
Rot. Bonds3

About 1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72845312) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72845312
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1ccc(CNC(=O)N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)cc1
InChIInChI=1S/C19H25N3O4/c1-13-3-5-14(6-4-13)12-20-18(26)22-9-7-19(8-10-22)15(17(24)25)11-16(23)21(19)2/h3-6,15H,7-12H2,1-2H3,(H,20,26)(H,24,25)
InChIKeyOTJBYLQFMLCKOF-UHFFFAOYSA-N
XLogP1.60
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72845312) is 1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1ccc(CNC(=O)N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)cc1.
What is the InChIKey of 1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is OTJBYLQFMLCKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-3-5-14(6-4-13)12-20-18(26)22-9-7-19(8-10-22)15(17(24)25)11-16(23)21(19)2/h3-6,15H,7-12H2,1-2H3,(H,20,26)(H,24,25).
What are the key properties of 1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[(4-methylphenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72845312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).