N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide

C23H32ClN3O2 — CID 54763987

IUPACN-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)NC1CC2(CCCCC2)NC2(CCCCC2)C1
InChIInChI=1S/C23H32ClN3O2/c24-17-7-9-18(10-8-17)25-20(28)21(29)26-19-15-22(11-3-1-4-12-22)27-23(16-19)13-5-2-6-14-23/h7-10,19,27H,1-6,11-16H2,(H,25,28)(H,26,29)
InChIKeyQMASZQYVQHXVRI-UHFFFAOYSA-N
MW417.98 g/mol
LogP4.55
Rot. Bonds2

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

N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide (PubChem CID 54763987) has the molecular formula C23H32ClN3O2 and a molecular weight of 417.98 g/mol. Its IUPAC name is N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide.

Molecular Properties

Compound NameN-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide
PubChem CID54763987
Molecular FormulaC23H32ClN3O2
Molecular Weight417.98 g/mol
Exact Mass417.22
IUPAC NameN-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)NC1CC2(CCCCC2)NC2(CCCCC2)C1
InChIInChI=1S/C23H32ClN3O2/c24-17-7-9-18(10-8-17)25-20(28)21(29)26-19-15-22(11-3-1-4-12-22)27-23(16-19)13-5-2-6-14-23/h7-10,19,27H,1-6,11-16H2,(H,25,28)(H,26,29)
InChIKeyQMASZQYVQHXVRI-UHFFFAOYSA-N
XLogP4.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.55
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'-(4-chlorophenyl)oxamide?
The IUPAC name of N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide (CID 54763987) is N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide.
What is the SMILES notation for N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide?
The canonical SMILES for N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide is O=C(Nc1ccc(Cl)cc1)C(=O)NC1CC2(CCCCC2)NC2(CCCCC2)C1.
What is the InChIKey of N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide?
The InChIKey is QMASZQYVQHXVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O2/c24-17-7-9-18(10-8-17)25-20(28)21(29)26-19-15-22(11-3-1-4-12-22)27-23(16-19)13-5-2-6-14-23/h7-10,19,27H,1-6,11-16H2,(H,25,28)(H,26,29).
What are the key properties of N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide?
N-(7-azadispiro[5.1.58.36]hexadecan-15-yl)-N'-(4-chlorophenyl)oxamide has a molecular weight of 417.98 g/mol, XLogP of 4.55, 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'-(4-chlorophenyl)oxamide is sourced from PubChem (CID 54763987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).