N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide

C23H38N6O2 — CID 166211933

IUPACN-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide
SMILESCCN(CCC#N)C(=O)CN1CCCC2(CCCN(CC(=O)N(CC)CCC#N)C2)C1
InChIInChI=1S/C23H38N6O2/c1-3-28(15-7-11-24)21(30)17-26-13-5-9-23(19-26)10-6-14-27(20-23)18-22(31)29(4-2)16-8-12-25/h3-10,13-20H2,1-2H3
InChIKeyZHJLHRNBWKNFMX-UHFFFAOYSA-N
MW430.60 g/mol
LogP1.69
Rot. Bonds10

About N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide

N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide (PubChem CID 166211933) has the molecular formula C23H38N6O2 and a molecular weight of 430.60 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide
PubChem CID166211933
Molecular FormulaC23H38N6O2
Molecular Weight430.60 g/mol
Exact Mass430.31
IUPAC NameN-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide
SMILESCCN(CCC#N)C(=O)CN1CCCC2(CCCN(CC(=O)N(CC)CCC#N)C2)C1
InChIInChI=1S/C23H38N6O2/c1-3-28(15-7-11-24)21(30)17-26-13-5-9-23(19-26)10-6-14-27(20-23)18-22(31)29(4-2)16-8-12-25/h3-10,13-20H2,1-2H3
InChIKeyZHJLHRNBWKNFMX-UHFFFAOYSA-N
XLogP1.69
TPSA94.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110897527
N-(2-cyanoethyl)-N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899377
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140475
1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 55165123
2-[(3R,4S)-3-(4-acetylpiperazin-1-yl)-4-methylpyrrolidin-1-yl]-N-(2-cyanoethyl)-N-ethylacetamide
CID 100837840
N-(2-cyanoethyl)-N-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 119041162
1-cyano-N-(2-cyanoethyl)-N-ethylcyclobutane-1-carboxamide
CID 80599118
N,N-diethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728785
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152235
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N,N-bis(2-cyanoethyl)acetamide
CID 95337438
N-(2-cyanoethyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
CID 63160697
2-cyanoethyl(ethyl)carbamic acid
CID 18786016

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide (CID 166211933) is N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide is CCN(CCC#N)C(=O)CN1CCCC2(CCCN(CC(=O)N(CC)CCC#N)C2)C1.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide?
The InChIKey is ZHJLHRNBWKNFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O2/c1-3-28(15-7-11-24)21(30)17-26-13-5-9-23(19-26)10-6-14-27(20-23)18-22(31)29(4-2)16-8-12-25/h3-10,13-20H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide?
N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide has a molecular weight of 430.60 g/mol, XLogP of 1.69, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-[2-[2-cyanoethyl(ethyl)amino]-2-oxoethyl]-2,8-diazaspiro[5.5]undecan-8-yl]-N-ethylacetamide is sourced from PubChem (CID 166211933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).