[1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate

C24H28ClN3O3 — CID 15617959

IUPAC[1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate
SMILESCN(C)CCNC(=O)c1c(OC(=O)C(C)(C)C)c2ccccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN3O3/c1-24(2,3)23(30)31-21-18-8-6-7-9-19(18)28(17-12-10-16(25)11-13-17)20(21)22(29)26-14-15-27(4)5/h6-13H,14-15H2,1-5H3,(H,26,29)
InChIKeyHQYLWCBNWPROQG-UHFFFAOYSA-N
MW441.96 g/mol
LogP4.53
Rot. Bonds6

About [1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate

[1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate (PubChem CID 15617959) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate
PubChem CID15617959
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name[1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate
SMILESCN(C)CCNC(=O)c1c(OC(=O)C(C)(C)C)c2ccccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN3O3/c1-24(2,3)23(30)31-21-18-8-6-7-9-19(18)28(17-12-10-16(25)11-13-17)20(21)22(29)26-14-15-27(4)5/h6-13H,14-15H2,1-5H3,(H,26,29)
InChIKeyHQYLWCBNWPROQG-UHFFFAOYSA-N
XLogP4.53
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate (CID 15617959) is [1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate is CN(C)CCNC(=O)c1c(OC(=O)C(C)(C)C)c2ccccc2n1-c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate?
The InChIKey is HQYLWCBNWPROQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-24(2,3)23(30)31-21-18-8-6-7-9-19(18)28(17-12-10-16(25)11-13-17)20(21)22(29)26-14-15-27(4)5/h6-13H,14-15H2,1-5H3,(H,26,29).
What are the key properties of [1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate?
[1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate has a molecular weight of 441.96 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-[2-(dimethylamino)ethylcarbamoyl]indol-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 15617959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).