[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

C23H24N2O4 — CID 7960280

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H24N2O4/c1-23(2,3)17-10-8-15(9-11-17)22(28)25-20(26)14-29-21(27)12-16-13-24-19-7-5-4-6-18(16)19/h4-11,13,24H,12,14H2,1-3H3,(H,25,26,28)
InChIKeyZPNHMWGPYBIYCR-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.51
Rot. Bonds5

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7960280) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7960280
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESCC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H24N2O4/c1-23(2,3)17-10-8-15(9-11-17)22(28)25-20(26)14-29-21(27)12-16-13-24-19-7-5-4-6-18(16)19/h4-11,13,24H,12,14H2,1-3H3,(H,25,26,28)
InChIKeyZPNHMWGPYBIYCR-UHFFFAOYSA-N
XLogP3.51
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide
CID 31974149
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1H-indol-3-yl)acetate
CID 8896357
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960172
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950882
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate
CID 9017656
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507750
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 4802171
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960340

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 7960280) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is ZPNHMWGPYBIYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-23(2,3)17-10-8-15(9-11-17)22(28)25-20(26)14-29-21(27)12-16-13-24-19-7-5-4-6-18(16)19/h4-11,13,24H,12,14H2,1-3H3,(H,25,26,28).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 392.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7960280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).