2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane

C34H44ClN3O4 — CID 142077225

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane
SMILESCC.COc1ccc2c(c1)c(CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C32H38ClN3O4.C2H6/c1-21-27(20-30(37)36(25-11-7-4-8-12-25)32(39)34-24-9-5-3-6-10-24)28-19-26(40-2)17-18-29(28)35(21)31(38)22-13-15-23(33)16-14-22;1-2/h13-19,24-25H,3-12,20H2,1-2H3,(H,34,39);1-2H3
InChIKeyKBRGUGILGLWUQK-UHFFFAOYSA-N
MW594.20 g/mol
LogP8.07
Rot. Bonds6

About 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane (PubChem CID 142077225) has the molecular formula C34H44ClN3O4 and a molecular weight of 594.20 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane
PubChem CID142077225
Molecular FormulaC34H44ClN3O4
Molecular Weight594.20 g/mol
Exact Mass593.30
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane
SMILESCC.COc1ccc2c(c1)c(CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C32H38ClN3O4.C2H6/c1-21-27(20-30(37)36(25-11-7-4-8-12-25)32(39)34-24-9-5-3-6-10-24)28-19-26(40-2)17-18-29(28)35(21)31(38)22-13-15-23(33)16-14-22;1-2/h13-19,24-25H,3-12,20H2,1-2H3,(H,34,39);1-2H3
InChIKeyKBRGUGILGLWUQK-UHFFFAOYSA-N
XLogP8.07
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.20
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclopentylacetamide
CID 1265009
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 17482058
ethyl 4-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-(cyclohexylamino)butanoate
CID 69312569
2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
CID 71081714
[4-[[4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoyl]amino]cyclohexyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 54572668
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
1-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-1-hydroxy-3-methylurea
CID 15027397
potassium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
CID 70587994
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 7935529
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N,N-dimethylacetamide
CID 70378051

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane (CID 142077225) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane is CC.COc1ccc2c(c1)c(CC(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane?
The InChIKey is KBRGUGILGLWUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O4.C2H6/c1-21-27(20-30(37)36(25-11-7-4-8-12-25)32(39)34-24-9-5-3-6-10-24)28-19-26(40-2)17-18-29(28)35(21)31(38)22-13-15-23(33)16-14-22;1-2/h13-19,24-25H,3-12,20H2,1-2H3,(H,34,39);1-2H3.
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane?
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane has a molecular weight of 594.20 g/mol, XLogP of 8.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane is sourced from PubChem (CID 142077225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).