N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C24H29N3O2 — CID 59688475

IUPACN-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCCCCNC(=O)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-2-3-16-25-23(29)26-17-14-24(15-18-26)21(19-10-6-4-7-11-19)27(22(24)28)20-12-8-5-9-13-20/h4-13,21H,2-3,14-18H2,1H3,(H,25,29)
InChIKeyVYNRFIMJFJTFND-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.37
Rot. Bonds5

About N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 59688475) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID59688475
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCCCCNC(=O)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-2-3-16-25-23(29)26-17-14-24(15-18-26)21(19-10-6-4-7-11-19)27(22(24)28)20-12-8-5-9-13-20/h4-13,21H,2-3,14-18H2,1H3,(H,25,29)
InChIKeyVYNRFIMJFJTFND-UHFFFAOYSA-N
XLogP4.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 59688475) is N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CCCCNC(=O)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccccc1.
What is the InChIKey of N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is VYNRFIMJFJTFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-3-16-25-23(29)26-17-14-24(15-18-26)21(19-10-6-4-7-11-19)27(22(24)28)20-12-8-5-9-13-20/h4-13,21H,2-3,14-18H2,1H3,(H,25,29).
What are the key properties of N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 59688475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).