2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C24H28N4O3 — CID 55411340

IUPAC2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(C(=O)c1c[nH]c2ccccc12)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3/c1-17(24(30)21-15-25-22-6-4-3-5-20(21)22)27(2)16-23(29)26-18-7-9-19(10-8-18)28-11-13-31-14-12-28/h3-10,15,17,25H,11-14,16H2,1-2H3,(H,26,29)
InChIKeyQJBQMDGJAGCTMM-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.15
Rot. Bonds7

About 2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 55411340) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID55411340
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC(C(=O)c1c[nH]c2ccccc12)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3/c1-17(24(30)21-15-25-22-6-4-3-5-20(21)22)27(2)16-23(29)26-18-7-9-19(10-8-18)28-11-13-31-14-12-28/h3-10,15,17,25H,11-14,16H2,1-2H3,(H,26,29)
InChIKeyQJBQMDGJAGCTMM-UHFFFAOYSA-N
XLogP3.15
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 40795859
2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 40795857
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide
CID 55430711
N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351529
2-[[(1S)-1-cyanoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592711
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
2-acetamido-N-ethyl-3-(1H-indol-3-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 55359836
N-(2,3-dichlorophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351462
2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592720
2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 94825706
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351675

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 55411340) is 2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CC(C(=O)c1c[nH]c2ccccc12)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is QJBQMDGJAGCTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17(24(30)21-15-25-22-6-4-3-5-20(21)22)27(2)16-23(29)26-18-7-9-19(10-8-18)28-11-13-31-14-12-28/h3-10,15,17,25H,11-14,16H2,1-2H3,(H,26,29).
What are the key properties of 2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55411340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).