[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

C23H25N3O5 — CID 9016765

IUPAC[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O5/c1-15(27)25-17-10-11-21(30-2)20(12-17)26-22(28)14-31-23(29)9-5-6-16-13-24-19-8-4-3-7-18(16)19/h3-4,7-8,10-13,24H,5-6,9,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHPHFLSOCTSQBEL-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.64
Rot. Bonds9

About [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (PubChem CID 9016765) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
PubChem CID9016765
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O5/c1-15(27)25-17-10-11-21(30-2)20(12-17)26-22(28)14-31-23(29)9-5-6-16-13-24-19-8-4-3-7-18(16)19/h3-4,7-8,10-13,24H,5-6,9,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyHPHFLSOCTSQBEL-UHFFFAOYSA-N
XLogP3.64
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate with MolForge

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7958497
N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 55695694
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2434282
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 5026554
[2-(4-bromoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2346960
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
CID 9016443
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7662689
ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate
CID 7662484
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 3466993

Frequently Asked Questions

What is the IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The IUPAC name of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (CID 9016765) is [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is COc1ccc(NC(C)=O)cc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The InChIKey is HPHFLSOCTSQBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-15(27)25-17-10-11-21(30-2)20(12-17)26-22(28)14-31-23(29)9-5-6-16-13-24-19-8-4-3-7-18(16)19/h3-4,7-8,10-13,24H,5-6,9,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate has a molecular weight of 423.47 g/mol, XLogP of 3.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 9016765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).