2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate

C21H31N3O3 — CID 156634189

IUPAC2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate
SMILESCN(C)CCOC(=O)c1cc2c(OC3CCCCC3)cc(N(C)C)cc2[nH]1
InChIInChI=1S/C21H31N3O3/c1-23(2)10-11-26-21(25)19-14-17-18(22-19)12-15(24(3)4)13-20(17)27-16-8-6-5-7-9-16/h12-14,16,22H,5-11H2,1-4H3
InChIKeyZDYYUEWECICLAQ-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.66
Rot. Bonds7

About 2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate

2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate (PubChem CID 156634189) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate
PubChem CID156634189
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate
SMILESCN(C)CCOC(=O)c1cc2c(OC3CCCCC3)cc(N(C)C)cc2[nH]1
InChIInChI=1S/C21H31N3O3/c1-23(2)10-11-26-21(25)19-14-17-18(22-19)12-15(24(3)4)13-20(17)27-16-8-6-5-7-9-16/h12-14,16,22H,5-11H2,1-4H3
InChIKeyZDYYUEWECICLAQ-UHFFFAOYSA-N
XLogP3.66
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate (CID 156634189) is 2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate is CN(C)CCOC(=O)c1cc2c(OC3CCCCC3)cc(N(C)C)cc2[nH]1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate?
The InChIKey is ZDYYUEWECICLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-23(2)10-11-26-21(25)19-14-17-18(22-19)12-15(24(3)4)13-20(17)27-16-8-6-5-7-9-16/h12-14,16,22H,5-11H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate?
2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate has a molecular weight of 373.50 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-cyclohexyloxy-6-(dimethylamino)-1H-indole-2-carboxylate is sourced from PubChem (CID 156634189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).