3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide

C15H21NO — CID 174154365

IUPAC3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
SMILESCCC1(C(C)C)CCc2ccc(C(N)=O)cc21
InChIInChI=1S/C15H21NO/c1-4-15(10(2)3)8-7-11-5-6-12(14(16)17)9-13(11)15/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeyVNOMJVDFBJHLRH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.04
Rot. Bonds3

About 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide

3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide (PubChem CID 174154365) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
PubChem CID174154365
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
SMILESCCC1(C(C)C)CCc2ccc(C(N)=O)cc21
InChIInChI=1S/C15H21NO/c1-4-15(10(2)3)8-7-11-5-6-12(14(16)17)9-13(11)15/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17)
InChIKeyVNOMJVDFBJHLRH-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide?
The IUPAC name of 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide (CID 174154365) is 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide.
What is the SMILES notation for 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide?
The canonical SMILES for 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide is CCC1(C(C)C)CCc2ccc(C(N)=O)cc21.
What is the InChIKey of 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide?
The InChIKey is VNOMJVDFBJHLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-15(10(2)3)8-7-11-5-6-12(14(16)17)9-13(11)15/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,17).
What are the key properties of 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide?
3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide has a molecular weight of 231.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide is sourced from PubChem (CID 174154365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).