N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide

C20H18N4O3 — CID 135469095

IUPACN-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide
SMILESNCCNC(=O)Cc1ccc2[nH]c(O)c(C3=Nc4ccccc4C3=O)c2c1
InChIInChI=1S/C20H18N4O3/c21-7-8-22-16(25)10-11-5-6-15-13(9-11)17(20(27)24-15)18-19(26)12-3-1-2-4-14(12)23-18/h1-6,9,24,27H,7-8,10,21H2,(H,22,25)
InChIKeyQTWQIAQVFZAMHU-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.81
Rot. Bonds5

About N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide

N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide (PubChem CID 135469095) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide
PubChem CID135469095
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide
SMILESNCCNC(=O)Cc1ccc2[nH]c(O)c(C3=Nc4ccccc4C3=O)c2c1
InChIInChI=1S/C20H18N4O3/c21-7-8-22-16(25)10-11-5-6-15-13(9-11)17(20(27)24-15)18-19(26)12-3-1-2-4-14(12)23-18/h1-6,9,24,27H,7-8,10,21H2,(H,22,25)
InChIKeyQTWQIAQVFZAMHU-UHFFFAOYSA-N
XLogP1.81
TPSA120.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 82496271
5-fluoro-2-(5-fluoro-2-hydroxy-1H-indol-3-yl)indol-3-one
CID 135873274
2-(5-chloro-2-hydroxy-1H-indol-3-yl)-5-fluoroindol-3-one
CID 135873261
2-(5-amino-2-hydroxy-1H-indol-3-yl)-5-bromoindol-3-one
CID 135971466
2-(7-chloro-2-hydroxy-1H-indol-3-yl)indol-3-one
CID 135423851
2-(2-hydroxy-5-methyl-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one
CID 135878278
2-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-3-one
CID 3843472
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-[[2-(5-chloro-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetamide
CID 174104439
2-(3-oxoindol-2-yl)indol-3-one
CID 11858820
methyl 3-[(3E)-3-(2-bromoethoxyimino)indol-2-yl]-2-hydroxy-1H-indole-5-carboxylate
CID 142579235
2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one
CID 1334022
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide (CID 135469095) is N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide is NCCNC(=O)Cc1ccc2[nH]c(O)c(C3=Nc4ccccc4C3=O)c2c1.
What is the InChIKey of N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide?
The InChIKey is QTWQIAQVFZAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c21-7-8-22-16(25)10-11-5-6-15-13(9-11)17(20(27)24-15)18-19(26)12-3-1-2-4-14(12)23-18/h1-6,9,24,27H,7-8,10,21H2,(H,22,25).
What are the key properties of N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide?
N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[2-hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetamide is sourced from PubChem (CID 135469095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).