3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid

C15H22N2O4 — CID 61011178

IUPAC3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid
SMILESCCOc1ccc(NC(=O)CN(CC)CCC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-3-17(10-9-15(19)20)11-14(18)16-12-5-7-13(8-6-12)21-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNWKJJKOLEWXABG-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.82
Rot. Bonds9

About 3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid

3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid (PubChem CID 61011178) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid
PubChem CID61011178
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid
SMILESCCOc1ccc(NC(=O)CN(CC)CCC(=O)O)cc1
InChIInChI=1S/C15H22N2O4/c1-3-17(10-9-15(19)20)11-14(18)16-12-5-7-13(8-6-12)21-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNWKJJKOLEWXABG-UHFFFAOYSA-N
XLogP1.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-hydroxyethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 60686420
2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 5042527
2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 113442235
N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
3-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 61009921
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
2-[[(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl]-[2-(4-ethoxyanilino)-2-oxoethyl]amino]acetic acid
CID 162361946
2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 35164000
N-[4-[[2-(diethylamino)acetyl]amino]phenyl]butanamide
CID 54813705

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid (CID 61011178) is 3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid is CCOc1ccc(NC(=O)CN(CC)CCC(=O)O)cc1.
What is the InChIKey of 3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid?
The InChIKey is NWKJJKOLEWXABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-17(10-9-15(19)20)11-14(18)16-12-5-7-13(8-6-12)21-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid?
3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid is sourced from PubChem (CID 61011178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).