methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate

C24H21NO4 — CID 55758876

IUPACmethyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO4/c1-28-24(27)19-12-13-21-18(16-19)14-15-25(21)23(26)22(17-8-4-2-5-9-17)29-20-10-6-3-7-11-20/h2-13,16,22H,14-15H2,1H3
InChIKeyHQHYIASCFIZEKF-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.18
Rot. Bonds5

About methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate

methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate (PubChem CID 55758876) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate
PubChem CID55758876
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Namemethyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO4/c1-28-24(27)19-12-13-21-18(16-19)14-15-25(21)23(26)22(17-8-4-2-5-9-17)29-20-10-6-3-7-11-20/h2-13,16,22H,14-15H2,1H3
InChIKeyHQHYIASCFIZEKF-UHFFFAOYSA-N
XLogP4.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate
CID 134033414
methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate
CID 51338171
methyl 1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]-2,3-dihydroindole-5-carboxylate
CID 55514242
methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate
CID 42896690
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
methyl 1-[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]-2,3-dihydroindole-5-carboxylate
CID 42938054
methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
CID 86917335
methyl 3-[[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]benzoate
CID 46383578
methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate
CID 55775940
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55385480

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate (CID 55758876) is methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)C(Oc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate?
The InChIKey is HQHYIASCFIZEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-28-24(27)19-12-13-21-18(16-19)14-15-25(21)23(26)22(17-8-4-2-5-9-17)29-20-10-6-3-7-11-20/h2-13,16,22H,14-15H2,1H3.
What are the key properties of methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate?
methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 55758876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).