[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate

C22H22N2O4 — CID 7175406

IUPAC[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate
SMILESCC(=O)NCCC(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C22H22N2O4/c1-15(25)23-13-12-20(27)28-14-19(26)21-17-10-6-7-11-18(17)24(2)22(21)16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,23,25)
InChIKeyKSHMDQNKGPPLPK-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.10
Rot. Bonds7

About [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate

[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate (PubChem CID 7175406) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate.

Molecular Properties

Compound Name[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate
PubChem CID7175406
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate
SMILESCC(=O)NCCC(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12
InChIInChI=1S/C22H22N2O4/c1-15(25)23-13-12-20(27)28-14-19(26)21-17-10-6-7-11-18(17)24(2)22(21)16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,23,25)
InChIKeyKSHMDQNKGPPLPK-UHFFFAOYSA-N
XLogP3.10
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4857641
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4842179
trans-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 40533854
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2480011
2-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethoxy]benzamide
CID 7679661
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2401989
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
1-(1-methyl-2-phenylindol-3-yl)-2-(2-nitrophenoxy)ethanone
CID 18228397
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 18226360
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-(5-bromofuran-2-yl)prop-2-enoate
CID 4843769
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
CID 24615642
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 2413371

Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate?
The IUPAC name of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate (CID 7175406) is [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate.
What is the SMILES notation for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate?
The canonical SMILES for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate is CC(=O)NCCC(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12.
What is the InChIKey of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate?
The InChIKey is KSHMDQNKGPPLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15(25)23-13-12-20(27)28-14-19(26)21-17-10-6-7-11-18(17)24(2)22(21)16-8-4-3-5-9-16/h3-11H,12-14H2,1-2H3,(H,23,25).
What are the key properties of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate?
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate has a molecular weight of 378.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-acetamidopropanoate is sourced from PubChem (CID 7175406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).