ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate

C23H24N2O5 — CID 7662484

IUPACethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N2O5/c1-2-29-23(28)18-10-4-6-12-20(18)25-21(26)15-30-22(27)13-7-8-16-14-24-19-11-5-3-9-17(16)19/h3-6,9-12,14,24H,2,7-8,13,15H2,1H3,(H,25,26)
InChIKeyLDPNYPXAEZZXRW-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.85
Rot. Bonds9

About ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate

ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate (PubChem CID 7662484) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate
PubChem CID7662484
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Nameethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H24N2O5/c1-2-29-23(28)18-10-4-6-12-20(18)25-21(26)15-30-22(27)13-7-8-16-14-24-19-11-5-3-9-17(16)19/h3-6,9-12,14,24H,2,7-8,13,15H2,1H3,(H,25,26)
InChIKeyLDPNYPXAEZZXRW-UHFFFAOYSA-N
XLogP3.85
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate with MolForge

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2434282
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7958497
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 4175915
[2-(4-bromoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2346960
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659140
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 9016765
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7541618
dimethyl 5-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 3911654

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate (CID 7662484) is ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate?
The InChIKey is LDPNYPXAEZZXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-2-29-23(28)18-10-4-6-12-20(18)25-21(26)15-30-22(27)13-7-8-16-14-24-19-11-5-3-9-17(16)19/h3-6,9-12,14,24H,2,7-8,13,15H2,1H3,(H,25,26).
What are the key properties of ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate?
ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate has a molecular weight of 408.45 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate is sourced from PubChem (CID 7662484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).