N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide

C17H21Cl2N3O2 — CID 78799313

IUPACN-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H21Cl2N3O2/c18-15-3-1-4-16(19)14(15)13-17(23)22(6-2-5-20)8-7-21-9-11-24-12-10-21/h1,3-4H,2,6-13H2
InChIKeyXNHHRKYJIGOQIZ-UHFFFAOYSA-N
MW370.28 g/mol
LogP2.61
Rot. Bonds7

About N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide

N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 78799313) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID78799313
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC NameN-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H21Cl2N3O2/c18-15-3-1-4-16(19)14(15)13-17(23)22(6-2-5-20)8-7-21-9-11-24-12-10-21/h1,3-4H,2,6-13H2
InChIKeyXNHHRKYJIGOQIZ-UHFFFAOYSA-N
XLogP2.61
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide (CID 78799313) is N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide is N#CCCN(CCN1CCOCC1)C(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is XNHHRKYJIGOQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c18-15-3-1-4-16(19)14(15)13-17(23)22(6-2-5-20)8-7-21-9-11-24-12-10-21/h1,3-4H,2,6-13H2.
What are the key properties of N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide?
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 370.28 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 78799313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).