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

C21H26N2O3 — CID 113055835

IUPACN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
SMILESCOc1ccccc1CCN(CCNC(=O)Cc1ccccc1)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-17(24)23(14-12-19-10-6-7-11-20(19)26-2)15-13-22-21(25)16-18-8-4-3-5-9-18/h3-11H,12-16H2,1-2H3,(H,22,25)
InChIKeyBYGPUDUTKQLDTG-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.45
Rot. Bonds9

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

N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide (PubChem CID 113055835) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
PubChem CID113055835
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
SMILESCOc1ccccc1CCN(CCNC(=O)Cc1ccccc1)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-17(24)23(14-12-19-10-6-7-11-20(19)26-2)15-13-22-21(25)16-18-8-4-3-5-9-18/h3-11H,12-16H2,1-2H3,(H,22,25)
InChIKeyBYGPUDUTKQLDTG-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
CID 113055809
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
CID 113055840
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(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113165813
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methylbutyl)propanamide
CID 113121259
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113164495
N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113054955
N-[2-(dimethylsulfamoylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113055867
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055816
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113055919

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide (CID 113055835) is N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide is COc1ccccc1CCN(CCNC(=O)Cc1ccccc1)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide?
The InChIKey is BYGPUDUTKQLDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-17(24)23(14-12-19-10-6-7-11-20(19)26-2)15-13-22-21(25)16-18-8-4-3-5-9-18/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-phenylacetamide?
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide has a molecular weight of 354.45 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 113055835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).