N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide

C20H20N4O3 — CID 108526611

IUPACN'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCC(=O)N(C(=O)C(=O)NCCc1c[nH]c2ccccc12)c1cccc(N)c1
InChIInChI=1S/C20H20N4O3/c1-13(25)24(16-6-4-5-15(21)11-16)20(27)19(26)22-10-9-14-12-23-18-8-3-2-7-17(14)18/h2-8,11-12,23H,9-10,21H2,1H3,(H,22,26)
InChIKeyRTHZZBVJSPJMDG-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.99
Rot. Bonds4

About N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide

N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide (PubChem CID 108526611) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
PubChem CID108526611
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
SMILESCC(=O)N(C(=O)C(=O)NCCc1c[nH]c2ccccc12)c1cccc(N)c1
InChIInChI=1S/C20H20N4O3/c1-13(25)24(16-6-4-5-15(21)11-16)20(27)19(26)22-10-9-14-12-23-18-8-3-2-7-17(14)18/h2-8,11-12,23H,9-10,21H2,1H3,(H,22,26)
InChIKeyRTHZZBVJSPJMDG-UHFFFAOYSA-N
XLogP1.99
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide
CID 10293991
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide
CID 108528550
N'-acetyl-N'-(3-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524279
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985537
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
3-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-diamine
CID 117027085
N'-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7585548
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The IUPAC name of N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide (CID 108526611) is N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide is CC(=O)N(C(=O)C(=O)NCCc1c[nH]c2ccccc12)c1cccc(N)c1.
What is the InChIKey of N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
The InChIKey is RTHZZBVJSPJMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13(25)24(16-6-4-5-15(21)11-16)20(27)19(26)22-10-9-14-12-23-18-8-3-2-7-17(14)18/h2-8,11-12,23H,9-10,21H2,1H3,(H,22,26).
What are the key properties of N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide?
N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide has a molecular weight of 364.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide is sourced from PubChem (CID 108526611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).