[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate

C22H24N2O3 — CID 7169495

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate
SMILESCC(C)N(C(=O)COC(=O)CCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C22H24N2O3/c1-16(2)24(18-8-4-3-5-9-18)21(25)15-27-22(26)13-12-17-14-23-20-11-7-6-10-19(17)20/h3-11,14,16,23H,12-13,15H2,1-2H3
InChIKeyULUYGJYRNBVSSZ-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.09
Rot. Bonds7

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 7169495) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID7169495
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate
SMILESCC(C)N(C(=O)COC(=O)CCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C22H24N2O3/c1-16(2)24(18-8-4-3-5-9-18)21(25)15-27-22(26)13-12-17-14-23-20-11-7-6-10-19(17)20/h3-11,14,16,23H,12-13,15H2,1-2H3
InChIKeyULUYGJYRNBVSSZ-UHFFFAOYSA-N
XLogP4.09
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169307
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 55304114
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(1H-indol-3-yl)propanoate
CID 40651024
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 24980851
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
[2-(4-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2146219
N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 43397899
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577795
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 8942689
pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577808
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169394

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate (CID 7169495) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate is CC(C)N(C(=O)COC(=O)CCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is ULUYGJYRNBVSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16(2)24(18-8-4-3-5-9-18)21(25)15-27-22(26)13-12-17-14-23-20-11-7-6-10-19(17)20/h3-11,14,16,23H,12-13,15H2,1-2H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 364.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 7169495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).