5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid

C14H19NO3 — CID 11492533

IUPAC5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
SMILESCCN(C(=O)C(C)CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-15(12-7-5-4-6-8-12)14(18)11(2)9-10-13(16)17/h4-8,11H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyQUHLSEKXQBSQHG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.54
Rot. Bonds6

About 5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid

5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid (PubChem CID 11492533) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
PubChem CID11492533
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
SMILESCCN(C(=O)C(C)CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-3-15(12-7-5-4-6-8-12)14(18)11(2)9-10-13(16)17/h4-8,11H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyQUHLSEKXQBSQHG-UHFFFAOYSA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-butyl-2-methyl-N-phenylpentanamide
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N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide
CID 112516009
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid
CID 112516106
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
2-chloro-N-ethyl-N,2-diphenylacetamide
CID 43245479
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Frequently Asked Questions

What is the IUPAC name of 5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid (CID 11492533) is 5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid is CCN(C(=O)C(C)CCC(=O)O)c1ccccc1.
What is the InChIKey of 5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid?
The InChIKey is QUHLSEKXQBSQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-15(12-7-5-4-6-8-12)14(18)11(2)9-10-13(16)17/h4-8,11H,3,9-10H2,1-2H3,(H,16,17).
What are the key properties of 5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid?
5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid is sourced from PubChem (CID 11492533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).