[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate

C26H22N2O4 — CID 46796030

IUPAC[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H22N2O4/c1-17-9-5-6-12-19(17)26(31)27-15-23(30)32-16-22(29)24-20-13-7-8-14-21(20)28-25(24)18-10-3-2-4-11-18/h2-14,28H,15-16H2,1H3,(H,27,31)
InChIKeySZBDZUHMXDXYBH-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.30
Rot. Bonds7

About [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate (PubChem CID 46796030) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
PubChem CID46796030
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate
SMILESCc1ccccc1C(=O)NCC(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H22N2O4/c1-17-9-5-6-12-19(17)26(31)27-15-23(30)32-16-22(29)24-20-13-7-8-14-21(20)28-25(24)18-10-3-2-4-11-18/h2-14,28H,15-16H2,1H3,(H,27,31)
InChIKeySZBDZUHMXDXYBH-UHFFFAOYSA-N
XLogP4.30
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 29461980
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 29461685
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 42984073
1-O-ethyl 4-O-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (E)-but-2-enedioate
CID 7851494
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18289243
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate
CID 7599864
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818951
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 2412811
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate
CID 7758132
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796053
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate
CID 7775436
[2-(3-methoxyphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18283692

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate (CID 46796030) is [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate is Cc1ccccc1C(=O)NCC(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate?
The InChIKey is SZBDZUHMXDXYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-17-9-5-6-12-19(17)26(31)27-15-23(30)32-16-22(29)24-20-13-7-8-14-21(20)28-25(24)18-10-3-2-4-11-18/h2-14,28H,15-16H2,1H3,(H,27,31).
What are the key properties of [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate?
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate has a molecular weight of 426.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-[(2-methylbenzoyl)amino]acetate is sourced from PubChem (CID 46796030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).