2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide

C13H20N2O2 — CID 43215162

IUPAC2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide
SMILESCCOc1ccc(C(C)NCC(=O)NC)cc1
InChIInChI=1S/C13H20N2O2/c1-4-17-12-7-5-11(6-8-12)10(2)15-9-13(16)14-3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyYDOMXDGTDGADPI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.48
Rot. Bonds6

About 2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide

2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide (PubChem CID 43215162) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide
PubChem CID43215162
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide
SMILESCCOc1ccc(C(C)NCC(=O)NC)cc1
InChIInChI=1S/C13H20N2O2/c1-4-17-12-7-5-11(6-8-12)10(2)15-9-13(16)14-3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyYDOMXDGTDGADPI-UHFFFAOYSA-N
XLogP1.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 43214669
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898537
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
N-methyl-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 43214687
2-(tert-butylamino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 47844270
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
2-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 43402762
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide?
The IUPAC name of 2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide (CID 43215162) is 2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide is CCOc1ccc(C(C)NCC(=O)NC)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide?
The InChIKey is YDOMXDGTDGADPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-12-7-5-11(6-8-12)10(2)15-9-13(16)14-3/h5-8,10,15H,4,9H2,1-3H3,(H,14,16).
What are the key properties of 2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide?
2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide is sourced from PubChem (CID 43215162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).