3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid

C22H24N2O3 — CID 69486758

IUPAC3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid
SMILESCCN(C(=O)C(CCc1ccccc1)CC(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H24N2O3/c1-2-24(20-15-23-19-11-7-6-10-18(19)20)22(27)17(14-21(25)26)13-12-16-8-4-3-5-9-16/h3-11,15,17,23H,2,12-14H2,1H3,(H,25,26)
InChIKeyGBCSJOZKMRESNT-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.24
Rot. Bonds8

About 3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid

3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid (PubChem CID 69486758) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid.

Molecular Properties

Compound Name3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid
PubChem CID69486758
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid
SMILESCCN(C(=O)C(CCc1ccccc1)CC(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H24N2O3/c1-2-24(20-15-23-19-11-7-6-10-18(19)20)22(27)17(14-21(25)26)13-12-16-8-4-3-5-9-16/h3-11,15,17,23H,2,12-14H2,1H3,(H,25,26)
InChIKeyGBCSJOZKMRESNT-UHFFFAOYSA-N
XLogP4.24
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(1H-indol-3-yl)benzene-1,2-dicarboxamide
CID 70137119
(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 175558503
ethyl 2-[[[(2S)-1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-(propan-2-ylcarbamoyl)amino]methyl]-4-phenylbutanoate
CID 70545991
6-[4-(4-tert-butylphenyl)phenyl]-3-[ethyl-[[2-(1H-indol-3-yl)-1-phenylethyl]carbamoyl]carbamoyl]hexanoic acid
CID 150591967
[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 1H-indole-3-carboxylate
CID 7492999
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
1,1-bis(1H-indol-3-yl)urea
CID 57486091
(3S)-3-amino-6-(1H-indol-3-yl)-4-oxohexanoic acid
CID 173302249
(4R)-1-(1H-indol-3-yl)-4-methyl-5-phenylpentan-2-one
CID 71123532
6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide
CID 5216666

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid?
The IUPAC name of 3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid (CID 69486758) is 3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid.
What is the SMILES notation for 3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid?
The canonical SMILES for 3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid is CCN(C(=O)C(CCc1ccccc1)CC(=O)O)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid?
The InChIKey is GBCSJOZKMRESNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-24(20-15-23-19-11-7-6-10-18(19)20)22(27)17(14-21(25)26)13-12-16-8-4-3-5-9-16/h3-11,15,17,23H,2,12-14H2,1H3,(H,25,26).
What are the key properties of 3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid?
3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid has a molecular weight of 364.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1H-indol-3-yl)carbamoyl]-5-phenylpentanoic acid is sourced from PubChem (CID 69486758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).