N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide

C21H26N2O4 — CID 113055840

IUPACN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
SMILESCOc1ccccc1CCN(CCNC(=O)COc1ccccc1)C(C)=O
InChIInChI=1S/C21H26N2O4/c1-17(24)23(14-12-18-8-6-7-11-20(18)26-2)15-13-22-21(25)16-27-19-9-4-3-5-10-19/h3-11H,12-16H2,1-2H3,(H,22,25)
InChIKeyPLHSVBXXWQPHDK-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.28
Rot. Bonds10

About N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide

N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide (PubChem CID 113055840) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
PubChem CID113055840
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
SMILESCOc1ccccc1CCN(CCNC(=O)COc1ccccc1)C(C)=O
InChIInChI=1S/C21H26N2O4/c1-17(24)23(14-12-18-8-6-7-11-20(18)26-2)15-13-22-21(25)16-27-19-9-4-3-5-10-19/h3-11H,12-16H2,1-2H3,(H,22,25)
InChIKeyPLHSVBXXWQPHDK-UHFFFAOYSA-N
XLogP2.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
CID 113055835
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
CID 113055809
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide
CID 113055827
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113055841
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 113121259
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113056855
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113164495
N-[2-(dimethylsulfamoylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113055867
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181298
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042664
N-[(2-methoxyphenyl)methyl]-2-(4-phenoxyphenoxy)acetamide
CID 7610854

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide (CID 113055840) is N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide is COc1ccccc1CCN(CCNC(=O)COc1ccccc1)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide?
The InChIKey is PLHSVBXXWQPHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-17(24)23(14-12-18-8-6-7-11-20(18)26-2)15-13-22-21(25)16-27-19-9-4-3-5-10-19/h3-11H,12-16H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide?
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide has a molecular weight of 370.45 g/mol, XLogP of 2.28, 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-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113055840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).