2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide

C18H26N4O2 — CID 78821303

IUPAC2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(CCC#N)CCN2CCOCC2)c1
InChIInChI=1S/C18H26N4O2/c1-16-4-2-5-17(14-16)20-18(23)15-22(7-3-6-19)9-8-21-10-12-24-13-11-21/h2,4-5,14H,3,7-13,15H2,1H3,(H,20,23)
InChIKeyIIHBHEIXIXZEQM-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.48
Rot. Bonds8

About 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide

2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide (PubChem CID 78821303) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide
PubChem CID78821303
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(CCC#N)CCN2CCOCC2)c1
InChIInChI=1S/C18H26N4O2/c1-16-4-2-5-17(14-16)20-18(23)15-22(7-3-6-19)9-8-21-10-12-24-13-11-21/h2,4-5,14H,3,7-13,15H2,1H3,(H,20,23)
InChIKeyIIHBHEIXIXZEQM-UHFFFAOYSA-N
XLogP1.48
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 78823309
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
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 78823441
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide
CID 113160733
(2R)-4-(3-methylanilino)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
CID 1277380
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(cyclohexylmethyl)acetamide
CID 78821439
1-(2-cyanoethyl)-1-(2-morpholin-4-ylethyl)-3-(3-nitrophenyl)urea
CID 71943631
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
3-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 61009921
1-(2-cyanoethyl)-1-cyclopropyl-3-(3-methylphenyl)urea
CID 54949101
3-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-(2-morpholin-4-ylethyl)amino]propanenitrile
CID 86911559

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide (CID 78821303) is 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(CCC#N)CCN2CCOCC2)c1.
What is the InChIKey of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide?
The InChIKey is IIHBHEIXIXZEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-16-4-2-5-17(14-16)20-18(23)15-22(7-3-6-19)9-8-21-10-12-24-13-11-21/h2,4-5,14H,3,7-13,15H2,1H3,(H,20,23).
What are the key properties of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide?
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(3-methylphenyl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.48, 8 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 78821303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).