2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide

C13H20N2O3 — CID 62511103

IUPAC2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
SMILESCOCCOCCNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C13H20N2O3/c1-10-3-4-12(14)11(9-10)13(16)15-5-6-18-8-7-17-2/h3-4,9H,5-8,14H2,1-2H3,(H,15,16)
InChIKeyDBUGWWGWOIFTFW-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.97
Rot. Bonds7

About 2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide

2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide (PubChem CID 62511103) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
PubChem CID62511103
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
SMILESCOCCOCCNC(=O)c1cc(C)ccc1N
InChIInChI=1S/C13H20N2O3/c1-10-3-4-12(14)11(9-10)13(16)15-5-6-18-8-7-17-2/h3-4,9H,5-8,14H2,1-2H3,(H,15,16)
InChIKeyDBUGWWGWOIFTFW-UHFFFAOYSA-N
XLogP0.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62508898
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
methyl 4-amino-3-(2-methoxyethylcarbamoyl)benzoate
CID 89026105
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
3-amino-N-[2-(2-methoxyethoxy)ethyl]-2-nitrobenzamide
CID 115548691
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 83108048
ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
CID 64576957
2-amino-N-methoxy-5-methylbenzamide
CID 64974828
2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277
4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107836086
2-amino-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332725

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide (CID 62511103) is 2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide is COCCOCCNC(=O)c1cc(C)ccc1N.
What is the InChIKey of 2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide?
The InChIKey is DBUGWWGWOIFTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-3-4-12(14)11(9-10)13(16)15-5-6-18-8-7-17-2/h3-4,9H,5-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide?
2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide has a molecular weight of 252.31 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide is sourced from PubChem (CID 62511103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).