2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide

C25H31N5O2 — CID 78784727

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C
InChIInChI=1S/C25H31N5O2/c1-17-14-20(30-12-10-29(3)11-13-30)8-9-22(17)28-25(32)24(27-18(2)31)15-19-16-26-23-7-5-4-6-21(19)23/h4-9,14,16,24,26H,10-13,15H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyWCEUSWBPHVPZGE-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.91
Rot. Bonds6

About 2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide

2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 78784727) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID78784727
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C
InChIInChI=1S/C25H31N5O2/c1-17-14-20(30-12-10-29(3)11-13-30)8-9-22(17)28-25(32)24(27-18(2)31)15-19-16-26-23-7-5-4-6-21(19)23/h4-9,14,16,24,26H,10-13,15H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyWCEUSWBPHVPZGE-UHFFFAOYSA-N
XLogP2.91
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.91
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-morpholin-4-ylphenyl)propanamide
CID 55620765
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
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-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
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456
methyl 5-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-2,4-difluorobenzoate
CID 78845055
2-acetamido-N-(2-fluoro-5-methylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 78837538
N-[1-(4-acetamido-2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 86945334

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 78784727) is 2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is WCEUSWBPHVPZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-14-20(30-12-10-29(3)11-13-30)8-9-22(17)28-25(32)24(27-18(2)31)15-19-16-26-23-7-5-4-6-21(19)23/h4-9,14,16,24,26H,10-13,15H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide?
2-acetamido-3-(1H-indol-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 433.56 g/mol, XLogP of 2.91, 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-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 78784727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).