3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide

C22H33N3O2 — CID 72863507

IUPAC3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide
SMILESCCN1CC2(CCN(CCC(=O)N(C)C)CC2)CC(c2ccccc2)C1=O
InChIInChI=1S/C22H33N3O2/c1-4-25-17-22(16-19(21(25)27)18-8-6-5-7-9-18)11-14-24(15-12-22)13-10-20(26)23(2)3/h5-9,19H,4,10-17H2,1-3H3
InChIKeyFZNMDIUIYXLKNZ-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.58
Rot. Bonds5

About 3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide

3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide (PubChem CID 72863507) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide
PubChem CID72863507
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide
SMILESCCN1CC2(CCN(CCC(=O)N(C)C)CC2)CC(c2ccccc2)C1=O
InChIInChI=1S/C22H33N3O2/c1-4-25-17-22(16-19(21(25)27)18-8-6-5-7-9-18)11-14-24(15-12-22)13-10-20(26)23(2)3/h5-9,19H,4,10-17H2,1-3H3
InChIKeyFZNMDIUIYXLKNZ-UHFFFAOYSA-N
XLogP2.58
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide (CID 72863507) is 3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide is CCN1CC2(CCN(CCC(=O)N(C)C)CC2)CC(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide?
The InChIKey is FZNMDIUIYXLKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-4-25-17-22(16-19(21(25)27)18-8-6-5-7-9-18)11-14-24(15-12-22)13-10-20(26)23(2)3/h5-9,19H,4,10-17H2,1-3H3.
What are the key properties of 3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide?
3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide has a molecular weight of 371.53 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 72863507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).