2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide

C14H19N5O2 — CID 1476718

IUPAC2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(N2NC3(CCN(C(N)=O)CC3)NC2=O)cc1
InChIInChI=1S/C14H19N5O2/c1-10-2-4-11(5-3-10)19-13(21)16-14(17-19)6-8-18(9-7-14)12(15)20/h2-5,17H,6-9H2,1H3,(H2,15,20)(H,16,21)
InChIKeyXWMBHHNYSAVNCB-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.90
Rot. Bonds1

About 2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide

2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide (PubChem CID 1476718) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide
PubChem CID1476718
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide
SMILESCc1ccc(N2NC3(CCN(C(N)=O)CC3)NC2=O)cc1
InChIInChI=1S/C14H19N5O2/c1-10-2-4-11(5-3-10)19-13(21)16-14(17-19)6-8-18(9-7-14)12(15)20/h2-5,17H,6-9H2,1H3,(H2,15,20)(H,16,21)
InChIKeyXWMBHHNYSAVNCB-UHFFFAOYSA-N
XLogP0.90
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide (CID 1476718) is 2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide is Cc1ccc(N2NC3(CCN(C(N)=O)CC3)NC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide?
The InChIKey is XWMBHHNYSAVNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-2-4-11(5-3-10)19-13(21)16-14(17-19)6-8-18(9-7-14)12(15)20/h2-5,17H,6-9H2,1H3,(H2,15,20)(H,16,21).
What are the key properties of 2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide?
2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-oxo-1,2,4,8-tetrazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 1476718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).