3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid

C28H33N3O4 — CID 6480887

IUPAC3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid
SMILESCN(C)C(=O)CN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C28H33N3O4/c1-29(2)24(32)17-30(3)25(33)18-31-23-16-21(28(34)35)14-15-22(23)26(19-10-6-4-7-11-19)27(31)20-12-8-5-9-13-20/h5,8-9,12-16,19H,4,6-7,10-11,17-18H2,1-3H3,(H,34,35)
InChIKeyPTBUXBZKJWPUNN-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.60
Rot. Bonds7

About 3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid

3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid (PubChem CID 6480887) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid
PubChem CID6480887
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid
SMILESCN(C)C(=O)CN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C28H33N3O4/c1-29(2)24(32)17-30(3)25(33)18-31-23-16-21(28(34)35)14-15-22(23)26(19-10-6-4-7-11-19)27(31)20-12-8-5-9-13-20/h5,8-9,12-16,19H,4,6-7,10-11,17-18H2,1-3H3,(H,34,35)
InChIKeyPTBUXBZKJWPUNN-UHFFFAOYSA-N
XLogP4.60
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid 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 3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid (CID 6480887) is 3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid is CN(C)C(=O)CN(C)C(=O)Cn1c(-c2ccccc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid?
The InChIKey is PTBUXBZKJWPUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-29(2)24(32)17-30(3)25(33)18-31-23-16-21(28(34)35)14-15-22(23)26(19-10-6-4-7-11-19)27(31)20-12-8-5-9-13-20/h5,8-9,12-16,19H,4,6-7,10-11,17-18H2,1-3H3,(H,34,35).
What are the key properties of 3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid?
3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid has a molecular weight of 475.59 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-phenylindole-6-carboxylic acid is sourced from PubChem (CID 6480887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).