N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide

C21H25FN2O4 — CID 113056526

IUPACN-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCOc1ccc(OCCN(CCNC(=O)Cc2cccc(F)c2)C(C)=O)cc1
InChIInChI=1S/C21H25FN2O4/c1-16(25)24(12-13-28-20-8-6-19(27-2)7-9-20)11-10-23-21(26)15-17-4-3-5-18(22)14-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyMWLSSMULAZRJSA-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.42
Rot. Bonds10

About N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide

N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113056526) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113056526
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCOc1ccc(OCCN(CCNC(=O)Cc2cccc(F)c2)C(C)=O)cc1
InChIInChI=1S/C21H25FN2O4/c1-16(25)24(12-13-28-20-8-6-19(27-2)7-9-20)11-10-23-21(26)15-17-4-3-5-18(22)14-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyMWLSSMULAZRJSA-UHFFFAOYSA-N
XLogP2.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113053567
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113054955
N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113100102
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113061260
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113055213
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113055919
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113056540
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113052697

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide (CID 113056526) is N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide is COc1ccc(OCCN(CCNC(=O)Cc2cccc(F)c2)C(C)=O)cc1.
What is the InChIKey of N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is MWLSSMULAZRJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-16(25)24(12-13-28-20-8-6-19(27-2)7-9-20)11-10-23-21(26)15-17-4-3-5-18(22)14-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 388.44 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113056526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).