1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid

C16H22N2O3 — CID 61199095

IUPAC1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
SMILESCCC(C)N(CC)C(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H22N2O3/c1-4-11(3)17(5-2)16(21)18-9-8-12-10-13(15(19)20)6-7-14(12)18/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyKVHPMXFPJDSXSX-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.99
Rot. Bonds4

About 1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid

1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid (PubChem CID 61199095) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
PubChem CID61199095
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
SMILESCCC(C)N(CC)C(=O)N1CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C16H22N2O3/c1-4-11(3)17(5-2)16(21)18-9-8-12-10-13(15(19)20)6-7-14(12)18/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyKVHPMXFPJDSXSX-UHFFFAOYSA-N
XLogP2.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid (CID 61199095) is 1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid is CCC(C)N(CC)C(=O)N1CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is KVHPMXFPJDSXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-11(3)17(5-2)16(21)18-9-8-12-10-13(15(19)20)6-7-14(12)18/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of 1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid?
1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl(ethyl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 61199095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).