3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one

C17H26N2O — CID 178050283

IUPAC3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one
SMILESCCC1(CCNC)C(=O)N(C)c2ccc(C(C)C)cc21
InChIInChI=1S/C17H26N2O/c1-6-17(9-10-18-4)14-11-13(12(2)3)7-8-15(14)19(5)16(17)20/h7-8,11-12,18H,6,9-10H2,1-5H3
InChIKeyFAXBTZVNYPROAA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.04
Rot. Bonds5

About 3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one

3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one (PubChem CID 178050283) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one
PubChem CID178050283
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one
SMILESCCC1(CCNC)C(=O)N(C)c2ccc(C(C)C)cc21
InChIInChI=1S/C17H26N2O/c1-6-17(9-10-18-4)14-11-13(12(2)3)7-8-15(14)19(5)16(17)20/h7-8,11-12,18H,6,9-10H2,1-5H3
InChIKeyFAXBTZVNYPROAA-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one?
The IUPAC name of 3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one (CID 178050283) is 3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one.
What is the SMILES notation for 3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one?
The canonical SMILES for 3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one is CCC1(CCNC)C(=O)N(C)c2ccc(C(C)C)cc21.
What is the InChIKey of 3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one?
The InChIKey is FAXBTZVNYPROAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-6-17(9-10-18-4)14-11-13(12(2)3)7-8-15(14)19(5)16(17)20/h7-8,11-12,18H,6,9-10H2,1-5H3.
What are the key properties of 3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one?
3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one has a molecular weight of 274.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-3-[2-(methylamino)ethyl]-5-propan-2-ylindol-2-one is sourced from PubChem (CID 178050283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).