1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid

C18H25NO2 — CID 83945892

IUPAC1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid
SMILESCCCCn1cc(C(C)C)c2cc(C(=O)O)cc(CC)c21
InChIInChI=1S/C18H25NO2/c1-5-7-8-19-11-16(12(3)4)15-10-14(18(20)21)9-13(6-2)17(15)19/h9-12H,5-8H2,1-4H3,(H,20,21)
InChIKeyGISMVPXQUDWQKY-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.83
Rot. Bonds6

About 1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid

1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid (PubChem CID 83945892) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid
PubChem CID83945892
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid
SMILESCCCCn1cc(C(C)C)c2cc(C(=O)O)cc(CC)c21
InChIInChI=1S/C18H25NO2/c1-5-7-8-19-11-16(12(3)4)15-10-14(18(20)21)9-13(6-2)17(15)19/h9-12H,5-8H2,1-4H3,(H,20,21)
InChIKeyGISMVPXQUDWQKY-UHFFFAOYSA-N
XLogP4.83
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-7-methyl-3-propan-2-ylindole-5-carboxylic acid
CID 83945985
3,7-diethyl-1-(3-hydroxypropyl)indole-5-carboxylic acid
CID 83945897
1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid
CID 83945917
3-butyl-1-methyl-7-propan-2-ylindole-5-carboxylic acid
CID 83945764
1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
CID 83945927
1-methyl-3,7-di(propan-2-yl)indole-5-carboxylic acid
CID 83945763
1-(3-hydroxypropyl)-3-methyl-7-propan-2-ylindole-5-carboxylic acid
CID 83945803
1,3-dibutyl-7-tert-butylindole-5-carboxylic acid
CID 83945621
1-(3-aminopropyl)-7-ethyl-2-methyl-3-propan-2-ylindole-5-carboxylic acid
CID 83964267
3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid
CID 83945854
3-acetyl-1,7-diethylindole-5-carboxylic acid
CID 83947871
1-butyl-3-formyl-2-methyl-7-propan-2-ylindole-5-carboxylic acid
CID 83947184

Frequently Asked Questions

What is the IUPAC name of 1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid?
The IUPAC name of 1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid (CID 83945892) is 1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid.
What is the SMILES notation for 1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid?
The canonical SMILES for 1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid is CCCCn1cc(C(C)C)c2cc(C(=O)O)cc(CC)c21.
What is the InChIKey of 1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid?
The InChIKey is GISMVPXQUDWQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-7-8-19-11-16(12(3)4)15-10-14(18(20)21)9-13(6-2)17(15)19/h9-12H,5-8H2,1-4H3,(H,20,21).
What are the key properties of 1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid?
1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid is sourced from PubChem (CID 83945892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).