N-[2-[2-(methylamino)ethoxy]ethyl]benzamide

C12H18N2O2 — CID 166579726

IUPACN-[2-[2-(methylamino)ethoxy]ethyl]benzamide
SMILESCNCCOCCNC(=O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-13-7-9-16-10-8-14-12(15)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3,(H,14,15)
InChIKeyAUMNXVJGSYWQFY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.65
Rot. Bonds7

About N-[2-[2-(methylamino)ethoxy]ethyl]benzamide

N-[2-[2-(methylamino)ethoxy]ethyl]benzamide (PubChem CID 166579726) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-[2-(methylamino)ethoxy]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)ethoxy]ethyl]benzamide
PubChem CID166579726
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[2-[2-(methylamino)ethoxy]ethyl]benzamide
SMILESCNCCOCCNC(=O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-13-7-9-16-10-8-14-12(15)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3,(H,14,15)
InChIKeyAUMNXVJGSYWQFY-UHFFFAOYSA-N
XLogP0.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.65
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-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
CID 126723293
N-[2-(2-azidoethoxy)ethyl]benzamide
CID 156666189
N-[2-[[N-[2-(2-butoxyethoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111693476
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide
CID 142616395
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
2-(methylamino)ethyl benzoate
CID 158644589
2-benzamidoethyl nitrate
CID 10536408
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-[2-[3-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119432544
3-benzamidopropylphosphonic acid
CID 59131688
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
CID 177339152

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)ethoxy]ethyl]benzamide?
The IUPAC name of N-[2-[2-(methylamino)ethoxy]ethyl]benzamide (CID 166579726) is N-[2-[2-(methylamino)ethoxy]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(methylamino)ethoxy]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(methylamino)ethoxy]ethyl]benzamide is CNCCOCCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(methylamino)ethoxy]ethyl]benzamide?
The InChIKey is AUMNXVJGSYWQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-7-9-16-10-8-14-12(15)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3,(H,14,15).
What are the key properties of N-[2-[2-(methylamino)ethoxy]ethyl]benzamide?
N-[2-[2-(methylamino)ethoxy]ethyl]benzamide has a molecular weight of 222.29 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)ethoxy]ethyl]benzamide is sourced from PubChem (CID 166579726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).