N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide

C22H27ClN2O3 — CID 17012218

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NCC(c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O3/c1-2-17-7-9-18(10-8-17)28-16-22(26)24-15-21(25-11-13-27-14-12-25)19-5-3-4-6-20(19)23/h3-10,21H,2,11-16H2,1H3,(H,24,26)
InChIKeyIFGJJQPVJRQXKE-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.47
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide (PubChem CID 17012218) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide
PubChem CID17012218
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NCC(c2ccccc2Cl)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN2O3/c1-2-17-7-9-18(10-8-17)28-16-22(26)24-15-21(25-11-13-27-14-12-25)19-5-3-4-6-20(19)23/h3-10,21H,2,11-16H2,1H3,(H,24,26)
InChIKeyIFGJJQPVJRQXKE-UHFFFAOYSA-N
XLogP3.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide (CID 17012218) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)NCC(c2ccccc2Cl)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is IFGJJQPVJRQXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-2-17-7-9-18(10-8-17)28-16-22(26)24-15-21(25-11-13-27-14-12-25)19-5-3-4-6-20(19)23/h3-10,21H,2,11-16H2,1H3,(H,24,26).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 402.92 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 17012218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).