N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide

C20H19N3O3 — CID 112999594

IUPACN-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CNC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H19N3O3/c1-13(24)14-6-8-16(9-7-14)23-20(26)12-22-19(25)10-15-11-21-18-5-3-2-4-17(15)18/h2-9,11,21H,10,12H2,1H3,(H,22,25)(H,23,26)
InChIKeyWUYYEXZEEJDAHP-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.67
Rot. Bonds6

About N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide

N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 112999594) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID112999594
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CNC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H19N3O3/c1-13(24)14-6-8-16(9-7-14)23-20(26)12-22-19(25)10-15-11-21-18-5-3-2-4-17(15)18/h2-9,11,21H,10,12H2,1H3,(H,22,25)(H,23,26)
InChIKeyWUYYEXZEEJDAHP-UHFFFAOYSA-N
XLogP2.67
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide
CID 113000397
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 113002030
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112998163
N-(4-acetylphenyl)-2-(5-methyl-1H-indol-3-yl)acetamide
CID 110861147
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
CID 7998970
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 2449729
3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027454
2-(1H-indol-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140853
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
N-but-2-ynyl-2-(1H-indol-3-yl)acetamide;ethane
CID 143542035

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide (CID 112999594) is N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide is CC(=O)c1ccc(NC(=O)CNC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is WUYYEXZEEJDAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13(24)14-6-8-16(9-7-14)23-20(26)12-22-19(25)10-15-11-21-18-5-3-2-4-17(15)18/h2-9,11,21H,10,12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 112999594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).