3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one

C18H24N2O2 — CID 82518673

IUPAC3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one
SMILESCCn1c(-c2ccccc2OC(C)C)ccc(C(C)N)c1=O
InChIInChI=1S/C18H24N2O2/c1-5-20-16(11-10-14(13(4)19)18(20)21)15-8-6-7-9-17(15)22-12(2)3/h6-13H,5,19H2,1-4H3
InChIKeyMBWZHJMLLDJXCK-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.34
Rot. Bonds5

About 3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one

3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one (PubChem CID 82518673) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one
PubChem CID82518673
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one
SMILESCCn1c(-c2ccccc2OC(C)C)ccc(C(C)N)c1=O
InChIInChI=1S/C18H24N2O2/c1-5-20-16(11-10-14(13(4)19)18(20)21)15-8-6-7-9-17(15)22-12(2)3/h6-13H,5,19H2,1-4H3
InChIKeyMBWZHJMLLDJXCK-UHFFFAOYSA-N
XLogP3.34
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one (CID 82518673) is 3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one is CCn1c(-c2ccccc2OC(C)C)ccc(C(C)N)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one?
The InChIKey is MBWZHJMLLDJXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-20-16(11-10-14(13(4)19)18(20)21)15-8-6-7-9-17(15)22-12(2)3/h6-13H,5,19H2,1-4H3.
What are the key properties of 3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one?
3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one is sourced from PubChem (CID 82518673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).