2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide

C33H40ClN3O4 — CID 71081714

IUPAC2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
SMILESCc1c(CC(=O)N(CC(=O)NC2CCCCC2)C2CCCCC2)c2cc(CO)ccc2n1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C33H40ClN3O4/c1-22-28(29-18-23(21-38)12-17-30(29)37(22)33(41)24-13-15-25(34)16-14-24)19-32(40)36(27-10-6-3-7-11-27)20-31(39)35-26-8-4-2-5-9-26/h12-18,26-27,38H,2-11,19-21H2,1H3,(H,35,39)
InChIKeyUIFNTRFWVVMORH-UHFFFAOYSA-N
MW578.15 g/mol
LogP5.94
Rot. Bonds8

About 2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide

2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide (PubChem CID 71081714) has the molecular formula C33H40ClN3O4 and a molecular weight of 578.15 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
PubChem CID71081714
Molecular FormulaC33H40ClN3O4
Molecular Weight578.15 g/mol
Exact Mass577.27
IUPAC Name2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide
SMILESCc1c(CC(=O)N(CC(=O)NC2CCCCC2)C2CCCCC2)c2cc(CO)ccc2n1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C33H40ClN3O4/c1-22-28(29-18-23(21-38)12-17-30(29)37(22)33(41)24-13-15-25(34)16-14-24)19-32(40)36(27-10-6-3-7-11-27)20-31(39)35-26-8-4-2-5-9-26/h12-18,26-27,38H,2-11,19-21H2,1H3,(H,35,39)
InChIKeyUIFNTRFWVVMORH-UHFFFAOYSA-N
XLogP5.94
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.15
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide with MolForge

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Related Compounds

2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71081658
2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 71081664
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-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane
CID 142077225
2-[1-(3-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide
CID 71081698
(4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone
CID 70579907
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 17482058
CID 89175209
CID 89175209
ethyl 4-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-2-(cyclohexylamino)butanoate
CID 69312569
N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-methyl-1-(pyridine-4-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 71081719
[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-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one
CID 162271446

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide (CID 71081714) is 2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide is Cc1c(CC(=O)N(CC(=O)NC2CCCCC2)C2CCCCC2)c2cc(CO)ccc2n1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide?
The InChIKey is UIFNTRFWVVMORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40ClN3O4/c1-22-28(29-18-23(21-38)12-17-30(29)37(22)33(41)24-13-15-25(34)16-14-24)19-32(40)36(27-10-6-3-7-11-27)20-31(39)35-26-8-4-2-5-9-26/h12-18,26-27,38H,2-11,19-21H2,1H3,(H,35,39).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide?
2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide has a molecular weight of 578.15 g/mol, XLogP of 5.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-[2-(cyclohexylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 71081714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).