N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide

C12H18N2O2 — CID 84613985

IUPACN-(2-aminoethyl)-2-ethoxy-5-methylbenzamide
SMILESCCOc1ccc(C)cc1C(=O)NCCN
InChIInChI=1S/C12H18N2O2/c1-3-16-11-5-4-9(2)8-10(11)12(15)14-7-6-13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyFMFMLTGQWGAYIO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.08
Rot. Bonds5

About N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide

N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide (PubChem CID 84613985) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-ethoxy-5-methylbenzamide
PubChem CID84613985
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-aminoethyl)-2-ethoxy-5-methylbenzamide
SMILESCCOc1ccc(C)cc1C(=O)NCCN
InChIInChI=1S/C12H18N2O2/c1-3-16-11-5-4-9(2)8-10(11)12(15)14-7-6-13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyFMFMLTGQWGAYIO-UHFFFAOYSA-N
XLogP1.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496404
N-[(3-aminophenyl)methyl]-2-ethoxy-5-methylbenzamide
CID 130278867
2-(2-aminoethoxy)-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 118764914
5-amino-N-butyl-2-ethoxybenzamide
CID 28689998
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376
5-amino-2-ethoxy-N-ethylbenzamide
CID 28689994
2-methoxy-5-methyl-N-(2-sulfamoylethyl)benzamide
CID 61066846
N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 33239228
N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 115678718

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide (CID 84613985) is N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide is CCOc1ccc(C)cc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide?
The InChIKey is FMFMLTGQWGAYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-16-11-5-4-9(2)8-10(11)12(15)14-7-6-13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide?
N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-ethoxy-5-methylbenzamide is sourced from PubChem (CID 84613985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).