2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide

C20H30N4O2 — CID 78823309

IUPAC2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN(CCC#N)CCN1CCOCC1
InChIInChI=1S/C20H30N4O2/c1-17(2)18-6-3-4-7-19(18)22-20(25)16-24(9-5-8-21)11-10-23-12-14-26-15-13-23/h3-4,6-7,17H,5,9-16H2,1-2H3,(H,22,25)
InChIKeyFFXKOWGAYMTQEH-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.30
Rot. Bonds9

About 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide

2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 78823309) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID78823309
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CN(CCC#N)CCN1CCOCC1
InChIInChI=1S/C20H30N4O2/c1-17(2)18-6-3-4-7-19(18)22-20(25)16-24(9-5-8-21)11-10-23-12-14-26-15-13-23/h3-4,6-7,17H,5,9-16H2,1-2H3,(H,22,25)
InChIKeyFFXKOWGAYMTQEH-UHFFFAOYSA-N
XLogP2.30
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide
CID 78821303
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 86911193
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 78823609
3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113138299
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 78823441
2-[2-hydroxyethyl(propyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 60692713
2-[methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592856
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide
CID 78821439
3-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]propanenitrile
CID 86911559
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
2-N-(2-morpholin-4-ylethyl)-6-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109096478
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108862908

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide (CID 78823309) is 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CN(CCC#N)CCN1CCOCC1.
What is the InChIKey of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is FFXKOWGAYMTQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-17(2)18-6-3-4-7-19(18)22-20(25)16-24(9-5-8-21)11-10-23-12-14-26-15-13-23/h3-4,6-7,17H,5,9-16H2,1-2H3,(H,22,25).
What are the key properties of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide?
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 78823309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).