5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one

C14H20N2O2 — CID 82172252

IUPAC5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one
SMILESCCC1C(=O)N(C)c2ccc(C(N)COC)cc21
InChIInChI=1S/C14H20N2O2/c1-4-10-11-7-9(12(15)8-18-3)5-6-13(11)16(2)14(10)17/h5-7,10,12H,4,8,15H2,1-3H3
InChIKeyIHZFWAXWTIKCGZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds4

About 5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one

5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one (PubChem CID 82172252) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one
PubChem CID82172252
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one
SMILESCCC1C(=O)N(C)c2ccc(C(N)COC)cc21
InChIInChI=1S/C14H20N2O2/c1-4-10-11-7-9(12(15)8-18-3)5-6-13(11)16(2)14(10)17/h5-7,10,12H,4,8,15H2,1-3H3
InChIKeyIHZFWAXWTIKCGZ-UHFFFAOYSA-N
XLogP1.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one (CID 82172252) is 5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one is CCC1C(=O)N(C)c2ccc(C(N)COC)cc21.
What is the InChIKey of 5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one?
The InChIKey is IHZFWAXWTIKCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-10-11-7-9(12(15)8-18-3)5-6-13(11)16(2)14(10)17/h5-7,10,12H,4,8,15H2,1-3H3.
What are the key properties of 5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one?
5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82172252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).