8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H22ClN3O4 — CID 72918758

IUPAC8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cccc(Cl)c1NC(=O)N1CCC2(CC1)C(C(=O)O)CC(=O)N2C
InChIInChI=1S/C18H22ClN3O4/c1-11-4-3-5-13(19)15(11)20-17(26)22-8-6-18(7-9-22)12(16(24)25)10-14(23)21(18)2/h3-5,12H,6-10H2,1-2H3,(H,20,26)(H,24,25)
InChIKeyJWAZSDQFRWOPQF-UHFFFAOYSA-N
MW379.84 g/mol
LogP2.58
Rot. Bonds2

About 8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72918758) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is 8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72918758
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC Name8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cccc(Cl)c1NC(=O)N1CCC2(CC1)C(C(=O)O)CC(=O)N2C
InChIInChI=1S/C18H22ClN3O4/c1-11-4-3-5-13(19)15(11)20-17(26)22-8-6-18(7-9-22)12(16(24)25)10-14(23)21(18)2/h3-5,12H,6-10H2,1-2H3,(H,20,26)(H,24,25)
InChIKeyJWAZSDQFRWOPQF-UHFFFAOYSA-N
XLogP2.58
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72918758) is 8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1cccc(Cl)c1NC(=O)N1CCC2(CC1)C(C(=O)O)CC(=O)N2C.
What is the InChIKey of 8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is JWAZSDQFRWOPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-11-4-3-5-13(19)15(11)20-17(26)22-8-6-18(7-9-22)12(16(24)25)10-14(23)21(18)2/h3-5,12H,6-10H2,1-2H3,(H,20,26)(H,24,25).
What are the key properties of 8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 379.84 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chloro-6-methylphenyl)carbamoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72918758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).