[4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate

C19H26N2O5 — CID 70482880

IUPAC[4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate
SMILESCCOC(=O)Oc1cc2c(C(O)CNC3CCCCC3)ccc(O)c2[nH]1
InChIInChI=1S/C19H26N2O5/c1-2-25-19(24)26-17-10-14-13(8-9-15(22)18(14)21-17)16(23)11-20-12-6-4-3-5-7-12/h8-10,12,16,20-23H,2-7,11H2,1H3
InChIKeyANQXKZQGVPLVQU-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.36
Rot. Bonds6

About [4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate

[4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate (PubChem CID 70482880) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate.

Molecular Properties

Compound Name[4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate
PubChem CID70482880
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate
SMILESCCOC(=O)Oc1cc2c(C(O)CNC3CCCCC3)ccc(O)c2[nH]1
InChIInChI=1S/C19H26N2O5/c1-2-25-19(24)26-17-10-14-13(8-9-15(22)18(14)21-17)16(23)11-20-12-6-4-3-5-7-12/h8-10,12,16,20-23H,2-7,11H2,1H3
InChIKeyANQXKZQGVPLVQU-UHFFFAOYSA-N
XLogP3.36
TPSA103.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride
CID 70474237
[4-(2-amino-1-hydroxyethyl)-7-hydroxy-1H-indol-2-yl] methyl carbonate;hydrochloride
CID 70482628
ethyl 4-[2-[6-[[2-(2-ethoxycarbonyl-7-hydroxy-1H-indol-4-yl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylate;dihydrochloride
CID 70381939
ethyl [7-hydroxy-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-indol-2-yl] carbonate
CID 70389662
ethyl 4-[2-(cyclohexylamino)acetyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride
CID 70382007
cis-(1R,3S)-3-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]cyclopentane-1-carboxylic acid
CID 66860626
5-[2-[(4,7-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 16738802
5-[(1R)-2-[(2-cyclohexylcyclopentyl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 68559129
5-[(1R)-2-[[5-ethyl-6-(2,2,2-trideuterioethyl)-2,3-dihydro-1H-inden-2-yl]amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 163322006
[1-[6-[4-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]hexyl]piperidin-4-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 71112748
2-(cyclohexylamino)-1-(2-methoxy-3,5-dimethylphenyl)ethanol
CID 82315590
(Z)-but-2-enedioic acid;5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one;2-hydroxyacetic acid
CID 68877012

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate?
The IUPAC name of [4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate (CID 70482880) is [4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate.
What is the SMILES notation for [4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate?
The canonical SMILES for [4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate is CCOC(=O)Oc1cc2c(C(O)CNC3CCCCC3)ccc(O)c2[nH]1.
What is the InChIKey of [4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate?
The InChIKey is ANQXKZQGVPLVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-2-25-19(24)26-17-10-14-13(8-9-15(22)18(14)21-17)16(23)11-20-12-6-4-3-5-7-12/h8-10,12,16,20-23H,2-7,11H2,1H3.
What are the key properties of [4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate?
[4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate has a molecular weight of 362.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclohexylamino)-1-hydroxyethyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate is sourced from PubChem (CID 70482880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).