N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide

C24H34FN3O2 — CID 71602937

IUPACN-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CC3(CCCCC3)NC3(CCCCC3)C2)cc1F
InChIInChI=1S/C24H34FN3O2/c1-17-8-9-18(14-20(17)25)26-21(29)22(30)27-19-15-23(10-4-2-5-11-23)28-24(16-19)12-6-3-7-13-24/h8-9,14,19,28H,2-7,10-13,15-16H2,1H3,(H,26,29)(H,27,30)
InChIKeySPKOFAQVXGNNHO-UHFFFAOYSA-N
MW415.55 g/mol
LogP4.35
Rot. Bonds2

About N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide

N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide (PubChem CID 71602937) has the molecular formula C24H34FN3O2 and a molecular weight of 415.55 g/mol. Its IUPAC name is N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide
PubChem CID71602937
Molecular FormulaC24H34FN3O2
Molecular Weight415.55 g/mol
Exact Mass415.26
IUPAC NameN-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC2CC3(CCCCC3)NC3(CCCCC3)C2)cc1F
InChIInChI=1S/C24H34FN3O2/c1-17-8-9-18(14-20(17)25)26-21(29)22(30)27-19-15-23(10-4-2-5-11-23)28-24(16-19)12-6-3-7-13-24/h8-9,14,19,28H,2-7,10-13,15-16H2,1H3,(H,26,29)(H,27,30)
InChIKeySPKOFAQVXGNNHO-UHFFFAOYSA-N
XLogP4.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide?
The IUPAC name of N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide (CID 71602937) is N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide.
What is the SMILES notation for N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide?
The canonical SMILES for N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NC2CC3(CCCCC3)NC3(CCCCC3)C2)cc1F.
What is the InChIKey of N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide?
The InChIKey is SPKOFAQVXGNNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O2/c1-17-8-9-18(14-20(17)25)26-21(29)22(30)27-19-15-23(10-4-2-5-11-23)28-24(16-19)12-6-3-7-13-24/h8-9,14,19,28H,2-7,10-13,15-16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide?
N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide has a molecular weight of 415.55 g/mol, XLogP of 4.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(3-fluoro-4-methylphenyl)oxamide is sourced from PubChem (CID 71602937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).