3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid

C26H25NO3 — CID 42774239

IUPAC3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid
SMILESCCc1cccc2c(C(CC(=O)O)c3cccc(OCc4ccccc4)c3)c[nH]c12
InChIInChI=1S/C26H25NO3/c1-2-19-10-7-13-22-24(16-27-26(19)22)23(15-25(28)29)20-11-6-12-21(14-20)30-17-18-8-4-3-5-9-18/h3-14,16,23,27H,2,15,17H2,1H3,(H,28,29)
InChIKeyOUDPZORPFLGMCG-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.92
Rot. Bonds8

About 3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid

3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid (PubChem CID 42774239) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid
PubChem CID42774239
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid
SMILESCCc1cccc2c(C(CC(=O)O)c3cccc(OCc4ccccc4)c3)c[nH]c12
InChIInChI=1S/C26H25NO3/c1-2-19-10-7-13-22-24(16-27-26(19)22)23(15-25(28)29)20-11-6-12-21(14-20)30-17-18-8-4-3-5-9-18/h3-14,16,23,27H,2,15,17H2,1H3,(H,28,29)
InChIKeyOUDPZORPFLGMCG-UHFFFAOYSA-N
XLogP5.92
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
CID 42802172
N-(3,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
CID 4622416
N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42778032
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064396
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-N-(4-phenylbutan-2-yl)propanamide
CID 42802343
3-(7-ethyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
CID 4006072
N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 42802298
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methyl-3-(3-phenoxyphenyl)propanamide
CID 4997248
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide
CID 42802354
N-(3,4-dimethylphenyl)-3-(1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
CID 3548226
1-(4-benzylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propan-1-one
CID 4110048
1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 46131414

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid (CID 42774239) is 3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid is CCc1cccc2c(C(CC(=O)O)c3cccc(OCc4ccccc4)c3)c[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid?
The InChIKey is OUDPZORPFLGMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-2-19-10-7-13-22-24(16-27-26(19)22)23(15-25(28)29)20-11-6-12-21(14-20)30-17-18-8-4-3-5-9-18/h3-14,16,23,27H,2,15,17H2,1H3,(H,28,29).
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid?
3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid has a molecular weight of 399.49 g/mol, XLogP of 5.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 42774239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).