N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide

C13H20N2O2 — CID 107852146

IUPACN-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
SMILESCOc1cccc(CCNCCNC(C)=O)c1
InChIInChI=1S/C13H20N2O2/c1-11(16)15-9-8-14-7-6-12-4-3-5-13(10-12)17-2/h3-5,10,14H,6-9H2,1-2H3,(H,15,16)
InChIKeyOWERKLQTXJTJRU-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.96
Rot. Bonds7

About N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide

N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide (PubChem CID 107852146) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
PubChem CID107852146
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
SMILESCOc1cccc(CCNCCNC(C)=O)c1
InChIInChI=1S/C13H20N2O2/c1-11(16)15-9-8-14-7-6-12-4-3-5-13(10-12)17-2/h3-5,10,14H,6-9H2,1-2H3,(H,15,16)
InChIKeyOWERKLQTXJTJRU-UHFFFAOYSA-N
XLogP0.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
CID 103605841
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
3-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-phenylpropanamide
CID 109025650
3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 109025637
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
(Z)-4-[2-(3-methoxyphenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107846613
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
4-[2-(3-methoxyphenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107855890
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
3-chloro-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115215888
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide?
The IUPAC name of N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide (CID 107852146) is N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide is COc1cccc(CCNCCNC(C)=O)c1.
What is the InChIKey of N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide?
The InChIKey is OWERKLQTXJTJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(16)15-9-8-14-7-6-12-4-3-5-13(10-12)17-2/h3-5,10,14H,6-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide?
N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide is sourced from PubChem (CID 107852146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).