2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide

C13H19N3O2 — CID 43574376

IUPAC2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)Cc1ccccc1N
InChIInChI=1S/C13H19N3O2/c1-3-15-13(18)9(2)16-12(17)8-10-6-4-5-7-11(10)14/h4-7,9H,3,8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyDSVRIFKBERETRN-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.45
Rot. Bonds5

About 2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide

2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide (PubChem CID 43574376) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide
PubChem CID43574376
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)Cc1ccccc1N
InChIInChI=1S/C13H19N3O2/c1-3-15-13(18)9(2)16-12(17)8-10-6-4-5-7-11(10)14/h4-7,9H,3,8,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyDSVRIFKBERETRN-UHFFFAOYSA-N
XLogP0.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide
CID 8751746
2-(2-aminophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43498574
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
2-[[2-(2-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 113315006
(2R)-N-ethyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 8750175
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018937
2-(2-aminophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 61138769
2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
CID 43575741
2-(2-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 61102579
2-(2-aminophenyl)-N-(2-methylsulfinylpropyl)acetamide
CID 115976838
3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 61140780
N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
CID 18546205

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide (CID 43574376) is 2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)NC(=O)Cc1ccccc1N.
What is the InChIKey of 2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide?
The InChIKey is DSVRIFKBERETRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-15-13(18)9(2)16-12(17)8-10-6-4-5-7-11(10)14/h4-7,9H,3,8,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide?
2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 43574376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).