2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone

C15H18N2O2 — CID 62029005

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN(CCO)C1CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c18-8-7-17(11-5-6-11)10-15(19)13-9-16-14-4-2-1-3-12(13)14/h1-4,9,11,16,18H,5-8,10H2
InChIKeyFGTRTKHTROXAQU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.81
Rot. Bonds6

About 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone

2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone (PubChem CID 62029005) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone
PubChem CID62029005
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN(CCO)C1CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c18-8-7-17(11-5-6-11)10-15(19)13-9-16-14-4-2-1-3-12(13)14/h1-4,9,11,16,18H,5-8,10H2
InChIKeyFGTRTKHTROXAQU-UHFFFAOYSA-N
XLogP1.81
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 107481244
2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47077973
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(1H-indol-3-yl)ethanone
CID 109397668
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128
1-(1H-indol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61036275
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
N-(2-amino-2-oxoethyl)-N-cyclopentyl-1H-indole-3-carboxamide
CID 60958792
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62034936

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone (CID 62029005) is 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone is O=C(CN(CCO)C1CC1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone?
The InChIKey is FGTRTKHTROXAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-8-7-17(11-5-6-11)10-15(19)13-9-16-14-4-2-1-3-12(13)14/h1-4,9,11,16,18H,5-8,10H2.
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone?
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 62029005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).