methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate

C23H24N2O4 — CID 74631865

IUPACmethyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C23H24N2O4/c1-15-7-9-16(10-8-15)21(26)11-12-22(27)25-20(23(28)29-2)13-17-14-24-19-6-4-3-5-18(17)19/h3-10,14,20,24H,11-13H2,1-2H3,(H,25,27)
InChIKeyQEXCXUPOLOOEFQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.34
Rot. Bonds8

About methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate

methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate (PubChem CID 74631865) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate
PubChem CID74631865
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Namemethyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)c1ccc(C)cc1
InChIInChI=1S/C23H24N2O4/c1-15-7-9-16(10-8-15)21(26)11-12-22(27)25-20(23(28)29-2)13-17-14-24-19-6-4-3-5-18(17)19/h3-10,14,20,24H,11-13H2,1-2H3,(H,25,27)
InChIKeyQEXCXUPOLOOEFQ-UHFFFAOYSA-N
XLogP3.34
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-(1H-indol-3-yl)-2-[(4-oxo-4-phenylbutanoyl)amino]propanoate
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methyl 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate
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methyl (2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methylbenzoyl)amino]propanoyl]amino]-3-phenylpropanoate
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methyl 2-[(4-aminobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
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methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate?
The IUPAC name of methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate (CID 74631865) is methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate?
The canonical SMILES for methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate is COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate?
The InChIKey is QEXCXUPOLOOEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-7-9-16(10-8-15)21(26)11-12-22(27)25-20(23(28)29-2)13-17-14-24-19-6-4-3-5-18(17)19/h3-10,14,20,24H,11-13H2,1-2H3,(H,25,27).
What are the key properties of methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate?
methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate has a molecular weight of 392.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate is sourced from PubChem (CID 74631865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).