2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide

C22H24N4O3 — CID 46421755

IUPAC2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1C
InChIInChI=1S/C22H24N4O3/c1-13-10-17(8-9-19(13)24-14(2)27)26-22(29)21(25-15(3)28)11-16-12-23-20-7-5-4-6-18(16)20/h4-10,12,21,23H,11H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyCABITBJZAQSWAN-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.12
Rot. Bonds6

About 2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide

2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 46421755) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID46421755
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1C
InChIInChI=1S/C22H24N4O3/c1-13-10-17(8-9-19(13)24-14(2)27)26-22(29)21(25-15(3)28)11-16-12-23-20-7-5-4-6-18(16)20/h4-10,12,21,23H,11H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyCABITBJZAQSWAN-UHFFFAOYSA-N
XLogP3.12
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867
2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 78784727
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 55620765
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
3-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N,N-dimethylbenzamide
CID 51339051
N-[1-(4-acetamido-2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 86945334
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 8733084
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55325815
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide (CID 46421755) is 2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide is CC(=O)Nc1ccc(NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1C.
What is the InChIKey of 2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is CABITBJZAQSWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-10-17(8-9-19(13)24-14(2)27)26-22(29)21(25-15(3)28)11-16-12-23-20-7-5-4-6-18(16)20/h4-10,12,21,23H,11H2,1-3H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 46421755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).