N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide

C25H27N3O3 — CID 134479458

IUPACN-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide
SMILESCCC1=NN(c2ccccc2)C(=O)C12CCC(N(C=O)C(=O)c1ccccc1C)CC2
InChIInChI=1S/C25H27N3O3/c1-3-22-25(24(31)28(26-22)20-10-5-4-6-11-20)15-13-19(14-16-25)27(17-29)23(30)21-12-8-7-9-18(21)2/h4-12,17,19H,3,13-16H2,1-2H3
InChIKeyQKPJUVIUZFWZIX-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.34
Rot. Bonds5

About N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide

N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide (PubChem CID 134479458) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide
PubChem CID134479458
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide
SMILESCCC1=NN(c2ccccc2)C(=O)C12CCC(N(C=O)C(=O)c1ccccc1C)CC2
InChIInChI=1S/C25H27N3O3/c1-3-22-25(24(31)28(26-22)20-10-5-4-6-11-20)15-13-19(14-16-25)27(17-29)23(30)21-12-8-7-9-18(21)2/h4-12,17,19H,3,13-16H2,1-2H3
InChIKeyQKPJUVIUZFWZIX-UHFFFAOYSA-N
XLogP4.34
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide?
The IUPAC name of N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide (CID 134479458) is N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide.
What is the SMILES notation for N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide?
The canonical SMILES for N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide is CCC1=NN(c2ccccc2)C(=O)C12CCC(N(C=O)C(=O)c1ccccc1C)CC2.
What is the InChIKey of N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide?
The InChIKey is QKPJUVIUZFWZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-3-22-25(24(31)28(26-22)20-10-5-4-6-11-20)15-13-19(14-16-25)27(17-29)23(30)21-12-8-7-9-18(21)2/h4-12,17,19H,3,13-16H2,1-2H3.
What are the key properties of N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide?
N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4-oxo-3-phenyl-2,3-diazaspiro[4.5]dec-1-en-8-yl)-N-formyl-2-methylbenzamide is sourced from PubChem (CID 134479458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).