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

C20H23NO3 — CID 7848060

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H23NO3/c1-15(2)12-13-20(23)24-14-19(22)21-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,22)
InChIKeyLWIMZPRBYNVLPN-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.27
Rot. Bonds7

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

[2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate (PubChem CID 7848060) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate
PubChem CID7848060
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)OCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H23NO3/c1-15(2)12-13-20(23)24-14-19(22)21-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,22)
InChIKeyLWIMZPRBYNVLPN-UHFFFAOYSA-N
XLogP4.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848385
3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide
CID 112830357
[2-oxo-2-(2-phenylanilino)ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate
CID 16501437
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylpentanoate
CID 7848039
[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate
CID 8019936
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897
[2-oxo-2-(2-phenylanilino)ethyl] 2,6-dimethoxybenzoate
CID 8002666
trans-[2-oxo-2-(2-phenylanilino)ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019795
[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate
CID 7828531
[2-oxo-2-(2-phenylanilino)ethyl] 3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 51518213
[2-(3-methylanilino)-2-oxoethyl] 4-methylpentanoate
CID 84603861
[2-oxo-2-(2-phenylanilino)ethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 8899306

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate (CID 7848060) is [2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate is CC(C)CCC(=O)OCC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate?
The InChIKey is LWIMZPRBYNVLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15(2)12-13-20(23)24-14-19(22)21-18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate?
[2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate has a molecular weight of 325.41 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate is sourced from PubChem (CID 7848060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).