2-(4-ethyl-N-propanoylanilino)acetic acid

C13H17NO3 — CID 28766085

IUPAC2-(4-ethyl-N-propanoylanilino)acetic acid
SMILESCCC(=O)N(CC(=O)O)c1ccc(CC)cc1
InChIInChI=1S/C13H17NO3/c1-3-10-5-7-11(8-6-10)14(9-13(16)17)12(15)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyAKBVDAQUHZHQQH-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.08
Rot. Bonds5

About 2-(4-ethyl-N-propanoylanilino)acetic acid

2-(4-ethyl-N-propanoylanilino)acetic acid (PubChem CID 28766085) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(4-ethyl-N-propanoylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-ethyl-N-propanoylanilino)acetic acid
PubChem CID28766085
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(4-ethyl-N-propanoylanilino)acetic acid
SMILESCCC(=O)N(CC(=O)O)c1ccc(CC)cc1
InChIInChI=1S/C13H17NO3/c1-3-10-5-7-11(8-6-10)14(9-13(16)17)12(15)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyAKBVDAQUHZHQQH-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
3-(4-ethyl-N-pentanoylanilino)propanoic acid
CID 82320880
2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide
CID 113169298
3-(4-ethyl-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321773
3-(4-butyl-N-propanoylanilino)propanoic acid
CID 82320587
2-[carboxymethyl-[3-(4-ethylphenyl)propanoyl]amino]acetic acid
CID 63645904
2-(N-butanoyl-4-methoxyanilino)acetic acid
CID 28765925
2-(N-heptanoyl-4-hydroxyanilino)acetic acid
CID 60832829
N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 60630863
2-(4-hydroxy-N-(2-methoxyacetyl)anilino)acetic acid
CID 61276951
2-(4-chloro-N-(5-ethylfuran-2-carbonyl)anilino)acetic acid
CID 60825317
2-(4-chloro-N-octanoylanilino)acetic acid
CID 60826659

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-propanoylanilino)acetic acid?
The IUPAC name of 2-(4-ethyl-N-propanoylanilino)acetic acid (CID 28766085) is 2-(4-ethyl-N-propanoylanilino)acetic acid.
What is the SMILES notation for 2-(4-ethyl-N-propanoylanilino)acetic acid?
The canonical SMILES for 2-(4-ethyl-N-propanoylanilino)acetic acid is CCC(=O)N(CC(=O)O)c1ccc(CC)cc1.
What is the InChIKey of 2-(4-ethyl-N-propanoylanilino)acetic acid?
The InChIKey is AKBVDAQUHZHQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-10-5-7-11(8-6-10)14(9-13(16)17)12(15)4-2/h5-8H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-ethyl-N-propanoylanilino)acetic acid?
2-(4-ethyl-N-propanoylanilino)acetic acid has a molecular weight of 235.28 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-propanoylanilino)acetic acid is sourced from PubChem (CID 28766085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).