[1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate

C22H24N2O3 — CID 18271241

IUPAC[1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
SMILESCc1ccc(NC(=O)C(C)OC(=O)CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-15-10-12-18(13-11-15)24-22(26)16(2)27-21(25)9-5-6-17-14-23-20-8-4-3-7-19(17)20/h3-4,7-8,10-14,16,23H,5-6,9H2,1-2H3,(H,24,26)
InChIKeyMQCWASWREIYHOV-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.37
Rot. Bonds7

About [1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate

[1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate (PubChem CID 18271241) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name[1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
PubChem CID18271241
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
SMILESCc1ccc(NC(=O)C(C)OC(=O)CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-15-10-12-18(13-11-15)24-22(26)16(2)27-21(25)9-5-6-17-14-23-20-8-4-3-7-19(17)20/h3-4,7-8,10-14,16,23H,5-6,9H2,1-2H3,(H,24,26)
InChIKeyMQCWASWREIYHOV-UHFFFAOYSA-N
XLogP4.37
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate with MolForge

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Related Compounds

[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 7659203
[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 29436588
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7664829
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960222
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960233
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 7958610
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 45353849
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 8942689
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 55418939
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate
CID 7147732

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate?
The IUPAC name of [1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate (CID 18271241) is [1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for [1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for [1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate is Cc1ccc(NC(=O)C(C)OC(=O)CCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate?
The InChIKey is MQCWASWREIYHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-10-12-18(13-11-15)24-22(26)16(2)27-21(25)9-5-6-17-14-23-20-8-4-3-7-19(17)20/h3-4,7-8,10-14,16,23H,5-6,9H2,1-2H3,(H,24,26).
What are the key properties of [1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate?
[1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate has a molecular weight of 364.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 18271241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).