2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide

C13H19N3O3 — CID 102902655

IUPAC2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)OCCc1ccccc1N
InChIInChI=1S/C13H19N3O3/c1-9(12(17)16-13(18)15-2)19-8-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyGVUDEJBDGUSKLE-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.67
Rot. Bonds5

About 2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide

2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 102902655) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide
PubChem CID102902655
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)OCCc1ccccc1N
InChIInChI=1S/C13H19N3O3/c1-9(12(17)16-13(18)15-2)19-8-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyGVUDEJBDGUSKLE-UHFFFAOYSA-N
XLogP0.67
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminophenyl)ethoxy]-N-phenylpropanamide
CID 102902653
2-[2-(2-aminophenyl)ethoxy]-N-(furan-2-ylmethyl)propanamide
CID 102902392
2-(2-aminoethoxy)-N-(methylcarbamoyl)propanamide
CID 106938050
2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide
CID 43459973
2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115833
2-[2-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107713094
2-(2-pentan-3-yloxyethyl)aniline
CID 102902683
2-(2-naphthalen-1-ylethoxy)propanamide
CID 90988420
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 42971001
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 7871072
N-[2-[2-(2-aminophenyl)ethoxy]phenyl]acetamide
CID 62496426
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 9140008

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide (CID 102902655) is 2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)OCCc1ccccc1N.
What is the InChIKey of 2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is GVUDEJBDGUSKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(12(17)16-13(18)15-2)19-8-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide?
2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)ethoxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 102902655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).