N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide

C22H30N4O2 — CID 118666606

IUPACN-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CC(=O)NCCC#N)C2
InChIInChI=1S/C22H30N4O2/c1-25(2)22(18-7-4-3-5-8-18)11-9-21(10-12-22)15-20(28)26(17-21)16-19(27)24-14-6-13-23/h3-5,7-8H,6,9-12,14-17H2,1-2H3,(H,24,27)
InChIKeyXTJKJAWZBTTWRK-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.27
Rot. Bonds6

About N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide

N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide (PubChem CID 118666606) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide
PubChem CID118666606
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CC(=O)NCCC#N)C2
InChIInChI=1S/C22H30N4O2/c1-25(2)22(18-7-4-3-5-8-18)11-9-21(10-12-22)15-20(28)26(17-21)16-19(27)24-14-6-13-23/h3-5,7-8H,6,9-12,14-17H2,1-2H3,(H,24,27)
InChIKeyXTJKJAWZBTTWRK-UHFFFAOYSA-N
XLogP2.27
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide (CID 118666606) is N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CC(=O)N(CC(=O)NCCC#N)C2.
What is the InChIKey of N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is XTJKJAWZBTTWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-25(2)22(18-7-4-3-5-8-18)11-9-21(10-12-22)15-20(28)26(17-21)16-19(27)24-14-6-13-23/h3-5,7-8H,6,9-12,14-17H2,1-2H3,(H,24,27).
What are the key properties of N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide?
N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 118666606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).