N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C24H29N3O2 — CID 44570976

IUPACN-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCC3(CC2)CN(c2ccccc2)C3=O)cc1
InChIInChI=1S/C24H29N3O2/c1-23(2,3)18-9-11-19(12-10-18)25-22(29)26-15-13-24(14-16-26)17-27(21(24)28)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3,(H,25,29)
InChIKeyMYYKJFAAUPAHBF-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.64
Rot. Bonds2

About N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 44570976) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID44570976
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCC3(CC2)CN(c2ccccc2)C3=O)cc1
InChIInChI=1S/C24H29N3O2/c1-23(2,3)18-9-11-19(12-10-18)25-22(29)26-15-13-24(14-16-26)17-27(21(24)28)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3,(H,25,29)
InChIKeyMYYKJFAAUPAHBF-UHFFFAOYSA-N
XLogP4.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 44570976) is N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCC3(CC2)CN(c2ccccc2)C3=O)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is MYYKJFAAUPAHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-23(2,3)18-9-11-19(12-10-18)25-22(29)26-15-13-24(14-16-26)17-27(21(24)28)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3,(H,25,29).
What are the key properties of N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 44570976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).