1,2-diethyl-2,3-dihydroindole-5-carboxamide

C13H18N2O — CID 151975903

IUPAC1,2-diethyl-2,3-dihydroindole-5-carboxamide
SMILESCCC1Cc2cc(C(N)=O)ccc2N1CC
InChIInChI=1S/C13H18N2O/c1-3-11-8-10-7-9(13(14)16)5-6-12(10)15(11)4-2/h5-7,11H,3-4,8H2,1-2H3,(H2,14,16)
InChIKeyUBQSJQCFHRNNPT-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.95
Rot. Bonds3

About 1,2-diethyl-2,3-dihydroindole-5-carboxamide

1,2-diethyl-2,3-dihydroindole-5-carboxamide (PubChem CID 151975903) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,2-diethyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1,2-diethyl-2,3-dihydroindole-5-carboxamide
PubChem CID151975903
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1,2-diethyl-2,3-dihydroindole-5-carboxamide
SMILESCCC1Cc2cc(C(N)=O)ccc2N1CC
InChIInChI=1S/C13H18N2O/c1-3-11-8-10-7-9(13(14)16)5-6-12(10)15(11)4-2/h5-7,11H,3-4,8H2,1-2H3,(H2,14,16)
InChIKeyUBQSJQCFHRNNPT-UHFFFAOYSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1,2-diethyl-2,3-dihydroindole-5-carboxamide (CID 151975903) is 1,2-diethyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1,2-diethyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1,2-diethyl-2,3-dihydroindole-5-carboxamide is CCC1Cc2cc(C(N)=O)ccc2N1CC.
What is the InChIKey of 1,2-diethyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is UBQSJQCFHRNNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-11-8-10-7-9(13(14)16)5-6-12(10)15(11)4-2/h5-7,11H,3-4,8H2,1-2H3,(H2,14,16).
What are the key properties of 1,2-diethyl-2,3-dihydroindole-5-carboxamide?
1,2-diethyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 151975903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).