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

C24H28N4O4 — CID 78823609

IUPAC2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CN(CCC#N)CCN1CCOCC1)oc1ccccc12
InChIInChI=1S/C24H28N4O4/c1-30-23-15-19-18-5-2-3-6-21(18)32-22(19)16-20(23)26-24(29)17-28(8-4-7-25)10-9-27-11-13-31-14-12-27/h2-3,5-6,15-16H,4,8-14,17H2,1H3,(H,26,29)
InChIKeyWUGCOPZMWGFIMD-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.08
Rot. Bonds9

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

2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide (PubChem CID 78823609) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide
PubChem CID78823609
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)CN(CCC#N)CCN1CCOCC1)oc1ccccc12
InChIInChI=1S/C24H28N4O4/c1-30-23-15-19-18-5-2-3-6-21(18)32-22(19)16-20(23)26-24(29)17-28(8-4-7-25)10-9-27-11-13-31-14-12-27/h2-3,5-6,15-16H,4,8-14,17H2,1H3,(H,26,29)
InChIKeyWUGCOPZMWGFIMD-UHFFFAOYSA-N
XLogP3.08
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The IUPAC name of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide (CID 78823609) is 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The canonical SMILES for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide is COc1cc2c(cc1NC(=O)CN(CCC#N)CCN1CCOCC1)oc1ccccc12.
What is the InChIKey of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide?
The InChIKey is WUGCOPZMWGFIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-30-23-15-19-18-5-2-3-6-21(18)32-22(19)16-20(23)26-24(29)17-28(8-4-7-25)10-9-27-11-13-31-14-12-27/h2-3,5-6,15-16H,4,8-14,17H2,1H3,(H,26,29).
What are the key properties of 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide?
2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide has a molecular weight of 436.51 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(2-morpholin-4-ylethyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide is sourced from PubChem (CID 78823609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).