2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid

C24H30N2O2 — CID 141150284

IUPAC2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid
SMILESCCCCCCC(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C24H30N2O2/c1-2-3-4-8-15-22(24(27)28)25-17-16-20-19-13-9-10-14-21(19)26-23(20)18-11-6-5-7-12-18/h5-7,9-14,22,25-26H,2-4,8,15-17H2,1H3,(H,27,28)
InChIKeyJZFUHFXZQGJOIL-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.39
Rot. Bonds11

About 2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid

2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid (PubChem CID 141150284) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid.

Molecular Properties

Compound Name2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid
PubChem CID141150284
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid
SMILESCCCCCCC(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C24H30N2O2/c1-2-3-4-8-15-22(24(27)28)25-17-16-20-19-13-9-10-14-21(19)26-23(20)18-11-6-5-7-12-18/h5-7,9-14,22,25-26H,2-4,8,15-17H2,1H3,(H,27,28)
InChIKeyJZFUHFXZQGJOIL-UHFFFAOYSA-N
XLogP5.39
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
(2S)-2-[3-(diethylamino)propanoylamino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 69319135
2-(propylamino)tetradecanoic acid
CID 54527307
2-(pentylamino)octanoic acid
CID 129188286
2-(benzylamino)nonanoic acid
CID 54889620
(2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 69319086
(2S)-2-[(2-methylsulfonylacetyl)amino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 11584498
(2R)-2-(phenacylamino)hexadecanoic acid
CID 153409524
5-bromo-N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]pyridine-3-carboxamide
CID 69321024
(2S)-2-[[2-(furan-2-yl)-2-oxoacetyl]amino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide
CID 69320738
N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]thiophene-2-carboxamide
CID 69323102
(2S)-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]-2-(3-phenylprop-2-enoylamino)nonanamide
CID 69319358

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid?
The IUPAC name of 2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid (CID 141150284) is 2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid.
What is the SMILES notation for 2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid?
The canonical SMILES for 2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid is CCCCCCC(NCCc1c(-c2ccccc2)[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid?
The InChIKey is JZFUHFXZQGJOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-3-4-8-15-22(24(27)28)25-17-16-20-19-13-9-10-14-21(19)26-23(20)18-11-6-5-7-12-18/h5-7,9-14,22,25-26H,2-4,8,15-17H2,1H3,(H,27,28).
What are the key properties of 2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid?
2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid has a molecular weight of 378.52 g/mol, XLogP of 5.39, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid is sourced from PubChem (CID 141150284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).