ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate

C21H30N2O4 — CID 17028311

IUPACethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CNC3CCCC3)cc12
InChIInChI=1S/C21H30N2O4/c1-4-26-21(25)20-14(2)23(3)19-10-9-17(11-18(19)20)27-13-16(24)12-22-15-7-5-6-8-15/h9-11,15-16,22,24H,4-8,12-13H2,1-3H3
InChIKeyBRUGXRKLTMFCPI-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.94
Rot. Bonds8

About ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate

ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate (PubChem CID 17028311) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
PubChem CID17028311
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Nameethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CNC3CCCC3)cc12
InChIInChI=1S/C21H30N2O4/c1-4-26-21(25)20-14(2)23(3)19-10-9-17(11-18(19)20)27-13-16(24)12-22-15-7-5-6-8-15/h9-11,15-16,22,24H,4-8,12-13H2,1-3H3
InChIKeyBRUGXRKLTMFCPI-UHFFFAOYSA-N
XLogP2.94
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(2R)-2-hydroxy-3-[[(1S,2R)-2-methylcyclohexyl]amino]propoxy]-1,2-dimethylindole-3-carboxylate
CID 124767364
ethyl 5-[3-(dicyclohexylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
CID 17028326
ethyl 5-[(2S)-3-anilino-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
CID 1091088
ethyl 5-[3-(azepan-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
CID 4109523
ethyl 5-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]-1,2-dimethylindole-3-carboxylate
CID 2206265
1-[5-[(2S)-3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-2-methylindol-3-yl]ethanone
CID 42589687
ethyl 5-(2-hydroxy-3-morpholin-4-ium-4-ylpropoxy)-1,2-dimethylindole-3-carboxylate
CID 3488357
ethyl 5-[3-(2,5-dioxoimidazolidin-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate
CID 17028448
ethyl 5-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 124767416
ethyl 5-[(2S)-2-hydroxy-3-[[(2S)-oxolan-2-yl]methylamino]propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 41141099
ethyl 5-[(2R)-3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
CID 51396686
ethyl 5-[2-hydroxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propoxy]-1,2-dimethylindole-3-carboxylate
CID 2957310

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate?
The IUPAC name of ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate (CID 17028311) is ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate is CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CNC3CCCC3)cc12.
What is the InChIKey of ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate?
The InChIKey is BRUGXRKLTMFCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-4-26-21(25)20-14(2)23(3)19-10-9-17(11-18(19)20)27-13-16(24)12-22-15-7-5-6-8-15/h9-11,15-16,22,24H,4-8,12-13H2,1-3H3.
What are the key properties of ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate?
ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(cyclopentylamino)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate is sourced from PubChem (CID 17028311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).