[2-oxo-2-(4-phenylanilino)ethyl] pentanoate

C19H21NO3 — CID 2628922

IUPAC[2-oxo-2-(4-phenylanilino)ethyl] pentanoate
SMILESCCCCC(=O)OCC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-2-3-9-19(22)23-14-18(21)20-17-12-10-16(11-13-17)15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3,(H,20,21)
InChIKeyVEKFDGYREAGONN-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.03
Rot. Bonds7

About [2-oxo-2-(4-phenylanilino)ethyl] pentanoate

[2-oxo-2-(4-phenylanilino)ethyl] pentanoate (PubChem CID 2628922) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylanilino)ethyl] pentanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylanilino)ethyl] pentanoate
PubChem CID2628922
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[2-oxo-2-(4-phenylanilino)ethyl] pentanoate
SMILESCCCCC(=O)OCC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-2-3-9-19(22)23-14-18(21)20-17-12-10-16(11-13-17)15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3,(H,20,21)
InChIKeyVEKFDGYREAGONN-UHFFFAOYSA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-butylanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7729358
(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971115
[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] pentanoate
CID 18289327
(2-anilino-2-oxoethyl) 4-(4-methylphenoxy)butanoate
CID 7147829
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] pentanoate
CID 2458262
[2-(2,6-diethylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate
CID 17258700
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
ethyl 4-[(4-phenylphenyl)carbamoylamino]butanoate
CID 3344423
[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate
CID 7790348

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] pentanoate?
The IUPAC name of [2-oxo-2-(4-phenylanilino)ethyl] pentanoate (CID 2628922) is [2-oxo-2-(4-phenylanilino)ethyl] pentanoate.
What is the SMILES notation for [2-oxo-2-(4-phenylanilino)ethyl] pentanoate?
The canonical SMILES for [2-oxo-2-(4-phenylanilino)ethyl] pentanoate is CCCCC(=O)OCC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylanilino)ethyl] pentanoate?
The InChIKey is VEKFDGYREAGONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-3-9-19(22)23-14-18(21)20-17-12-10-16(11-13-17)15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3,(H,20,21).
What are the key properties of [2-oxo-2-(4-phenylanilino)ethyl] pentanoate?
[2-oxo-2-(4-phenylanilino)ethyl] pentanoate has a molecular weight of 311.38 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylanilino)ethyl] pentanoate is sourced from PubChem (CID 2628922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).