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

C20H21NO3 — CID 42802172

IUPAC3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
SMILESCCc1cccc2c(C(CC(=O)O)c3cccc(OC)c3)c[nH]c12
InChIInChI=1S/C20H21NO3/c1-3-13-6-5-9-16-18(12-21-20(13)16)17(11-19(22)23)14-7-4-8-15(10-14)24-2/h4-10,12,17,21H,3,11H2,1-2H3,(H,22,23)
InChIKeyOZBDDCSJRXBMKT-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.35
Rot. Bonds6

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

3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid (PubChem CID 42802172) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
PubChem CID42802172
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid
SMILESCCc1cccc2c(C(CC(=O)O)c3cccc(OC)c3)c[nH]c12
InChIInChI=1S/C20H21NO3/c1-3-13-6-5-9-16-18(12-21-20(13)16)17(11-19(22)23)14-7-4-8-15(10-14)24-2/h4-10,12,17,21H,3,11H2,1-2H3,(H,22,23)
InChIKeyOZBDDCSJRXBMKT-UHFFFAOYSA-N
XLogP4.35
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid
CID 42774239
1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 46131414
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-methylpropanamide
CID 42802354
3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
CID 4034993
N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 42802298
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 42802355
N-ethoxy-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42778032
N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 42804555
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064396
(3R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 93122378
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 129423231
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)-N-methyl-3-(3-phenoxyphenyl)propanamide
CID 4997248

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid (CID 42802172) is 3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid is CCc1cccc2c(C(CC(=O)O)c3cccc(OC)c3)c[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid?
The InChIKey is OZBDDCSJRXBMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-13-6-5-9-16-18(12-21-20(13)16)17(11-19(22)23)14-7-4-8-15(10-14)24-2/h4-10,12,17,21H,3,11H2,1-2H3,(H,22,23).
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid?
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propanoic acid has a molecular weight of 323.39 g/mol, XLogP of 4.35, 6 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-methoxyphenyl)propanoic acid is sourced from PubChem (CID 42802172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).