[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate

C18H17NO3 — CID 44668531

IUPAC[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate
SMILESCC(=O)OC(c1ccccc1)N1C(=O)Cc2cccc(C)c21
InChIInChI=1S/C18H17NO3/c1-12-7-6-10-15-11-16(21)19(17(12)15)18(22-13(2)20)14-8-4-3-5-9-14/h3-10,18H,11H2,1-2H3
InChIKeyCQQVTXDIGRYANI-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.15
Rot. Bonds3

About [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate

[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate (PubChem CID 44668531) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate.

Molecular Properties

Compound Name[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate
PubChem CID44668531
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate
SMILESCC(=O)OC(c1ccccc1)N1C(=O)Cc2cccc(C)c21
InChIInChI=1S/C18H17NO3/c1-12-7-6-10-15-11-16(21)19(17(12)15)18(22-13(2)20)14-8-4-3-5-9-14/h3-10,18H,11H2,1-2H3
InChIKeyCQQVTXDIGRYANI-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate?
The IUPAC name of [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate (CID 44668531) is [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate.
What is the SMILES notation for [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate?
The canonical SMILES for [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate is CC(=O)OC(c1ccccc1)N1C(=O)Cc2cccc(C)c21.
What is the InChIKey of [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate?
The InChIKey is CQQVTXDIGRYANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-7-6-10-15-11-16(21)19(17(12)15)18(22-13(2)20)14-8-4-3-5-9-14/h3-10,18H,11H2,1-2H3.
What are the key properties of [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate?
[(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate has a molecular weight of 295.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-methyl-2-oxo-3H-indol-1-yl)-phenylmethyl] acetate is sourced from PubChem (CID 44668531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).