N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide

C20H27N3O2 — CID 53366829

IUPACN,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2
InChIInChI=1S/C20H27N3O2/c1-3-22(4-2)17(24)15-23-19(25)18(16-11-7-5-8-12-16)21-20(23)13-9-6-10-14-20/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3
InChIKeyQUTDDTGSTZSANL-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.85
Rot. Bonds5

About N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide

N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide (PubChem CID 53366829) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
PubChem CID53366829
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2
InChIInChI=1S/C20H27N3O2/c1-3-22(4-2)17(24)15-23-19(25)18(16-11-7-5-8-12-16)21-20(23)13-9-6-10-14-20/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3
InChIKeyQUTDDTGSTZSANL-UHFFFAOYSA-N
XLogP2.85
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide (CID 53366829) is N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide is CCN(CC)C(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCC2.
What is the InChIKey of N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
The InChIKey is QUTDDTGSTZSANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-22(4-2)17(24)15-23-19(25)18(16-11-7-5-8-12-16)21-20(23)13-9-6-10-14-20/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3.
What are the key properties of N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide?
N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)acetamide is sourced from PubChem (CID 53366829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).