3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

C29H31N3O2 — CID 24952932

IUPAC3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)C3c2ccccc2)cc1
InChIInChI=1S/C29H31N3O2/c1-21(2)22-13-15-24(16-14-22)30-28(34)31-19-17-29(18-20-31)26(23-9-5-3-6-10-23)32(27(29)33)25-11-7-4-8-12-25/h3-16,21,26H,17-20H2,1-2H3,(H,30,34)
InChIKeyWPIUSHJITWEDBW-UHFFFAOYSA-N
MW453.59 g/mol
LogP6.21
Rot. Bonds4

About 3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24952932) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24952932
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)C3c2ccccc2)cc1
InChIInChI=1S/C29H31N3O2/c1-21(2)22-13-15-24(16-14-22)30-28(34)31-19-17-29(18-20-31)26(23-9-5-3-6-10-23)32(27(29)33)25-11-7-4-8-12-25/h3-16,21,26H,17-20H2,1-2H3,(H,30,34)
InChIKeyWPIUSHJITWEDBW-UHFFFAOYSA-N
XLogP6.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24952932) is 3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide is CC(C)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)C3c2ccccc2)cc1.
What is the InChIKey of 3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is WPIUSHJITWEDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-21(2)22-13-15-24(16-14-22)30-28(34)31-19-17-29(18-20-31)26(23-9-5-3-6-10-23)32(27(29)33)25-11-7-4-8-12-25/h3-16,21,26H,17-20H2,1-2H3,(H,30,34).
What are the key properties of 3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24952932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).