2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide

C24H28N4O3 — CID 55620765

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1C
InChIInChI=1S/C24H28N4O3/c1-16-13-19(28-9-11-31-12-10-28)7-8-21(16)27-24(30)23(26-17(2)29)14-18-15-25-22-6-4-3-5-20(18)22/h3-8,13,15,23,25H,9-12,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyKMWRKLSFASZXJP-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.00
Rot. Bonds6

About 2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide

2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide (PubChem CID 55620765) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
PubChem CID55620765
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1C
InChIInChI=1S/C24H28N4O3/c1-16-13-19(28-9-11-31-12-10-28)7-8-21(16)27-24(30)23(26-17(2)29)14-18-15-25-22-6-4-3-5-20(18)22/h3-8,13,15,23,25H,9-12,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyKMWRKLSFASZXJP-UHFFFAOYSA-N
XLogP3.00
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 78784727
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55359836
(2R)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 137451312
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 8733084
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
CID 31335078
(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine
CID 86738095
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)-N-(2-methylphenyl)propanamide
CID 3110636
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide (CID 55620765) is 2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1C.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide?
The InChIKey is KMWRKLSFASZXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16-13-19(28-9-11-31-12-10-28)7-8-21(16)27-24(30)23(26-17(2)29)14-18-15-25-22-6-4-3-5-20(18)22/h3-8,13,15,23,25H,9-12,14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide?
2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide has a molecular weight of 420.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 55620765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).