ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate

C23H24N2O5 — CID 139715528

IUPACethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate
SMILESCCOC(=O)CCCOc1cccc(C(C)=O)c1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H24N2O5/c1-3-29-21(27)8-5-13-30-20-7-4-6-18(15(2)26)22(20)25-23(28)17-9-10-19-16(14-17)11-12-24-19/h4,6-7,9-12,14,24H,3,5,8,13H2,1-2H3,(H,25,28)
InChIKeyCXTBINFBOVENNZ-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.34
Rot. Bonds9

About ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate

ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate (PubChem CID 139715528) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate.

Molecular Properties

Compound Nameethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate
PubChem CID139715528
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Nameethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate
SMILESCCOC(=O)CCCOc1cccc(C(C)=O)c1NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H24N2O5/c1-3-29-21(27)8-5-13-30-20-7-4-6-18(15(2)26)22(20)25-23(28)17-9-10-19-16(14-17)11-12-24-19/h4,6-7,9-12,14,24H,3,5,8,13H2,1-2H3,(H,25,28)
InChIKeyCXTBINFBOVENNZ-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxyphenyl)-1H-indole-5-carboxamide
CID 63718266
4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid
CID 139632495
N-(3-ethylphenyl)-1H-indole-5-carboxamide
CID 63717864
N-(2-ethyl-6-methylphenyl)-1H-indole-6-carboxamide
CID 60773719
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
2-(4-ethoxy-4-oxobutoxy)benzoic acid
CID 139610129
N-(2-chloro-6-methylphenyl)-1H-indole-6-carboxamide
CID 66255832
ethyl 4-[2-[5-[bis(4-fluorophenyl)methylcarbamoyl]-1-benzofuran-2-yl]phenoxy]butanoate
CID 139721636
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
3-butoxy-4-(1H-indol-5-yl)-N-methylbenzamide
CID 143227550
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate?
The IUPAC name of ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate (CID 139715528) is ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate.
What is the SMILES notation for ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate?
The canonical SMILES for ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate is CCOC(=O)CCCOc1cccc(C(C)=O)c1NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate?
The InChIKey is CXTBINFBOVENNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-3-29-21(27)8-5-13-30-20-7-4-6-18(15(2)26)22(20)25-23(28)17-9-10-19-16(14-17)11-12-24-19/h4,6-7,9-12,14,24H,3,5,8,13H2,1-2H3,(H,25,28).
What are the key properties of ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate?
ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate has a molecular weight of 408.45 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-acetyl-2-(1H-indole-5-carbonylamino)phenoxy]butanoate is sourced from PubChem (CID 139715528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).