1-[2-(4-propoxyanilino)ethyl]pyridin-2-one

C16H20N2O2 — CID 82897210

IUPAC1-[2-(4-propoxyanilino)ethyl]pyridin-2-one
SMILESCCCOc1ccc(NCCn2ccccc2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-2-13-20-15-8-6-14(7-9-15)17-10-12-18-11-4-3-5-16(18)19/h3-9,11,17H,2,10,12-13H2,1H3
InChIKeyOKTOZYQKSYGYSH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.75
Rot. Bonds7

About 1-[2-(4-propoxyanilino)ethyl]pyridin-2-one

1-[2-(4-propoxyanilino)ethyl]pyridin-2-one (PubChem CID 82897210) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-(4-propoxyanilino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-propoxyanilino)ethyl]pyridin-2-one
PubChem CID82897210
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-(4-propoxyanilino)ethyl]pyridin-2-one
SMILESCCCOc1ccc(NCCn2ccccc2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-2-13-20-15-8-6-14(7-9-15)17-10-12-18-11-4-3-5-16(18)19/h3-9,11,17H,2,10,12-13H2,1H3
InChIKeyOKTOZYQKSYGYSH-UHFFFAOYSA-N
XLogP2.75
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-fluoro-4-methylanilino)ethyl]pyridin-2-one
CID 82898029
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propoxyaniline
CID 82888943
4-[2-(2-oxo-1-pyridinyl)ethylamino]benzamide
CID 82897188
N-(2-methylsulfonylethyl)-4-propoxyaniline
CID 62327463
2-(4-propoxyanilino)ethanesulfonamide
CID 114384994
1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
CID 78986348
1-[2-[(1-methylpyrazol-4-yl)amino]ethyl]pyridin-2-one
CID 82897306
1-[2-[3-(dimethylamino)-4-methylanilino]ethyl]pyridin-2-one
CID 82897970
N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54810146
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propoxyanilino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-propoxyanilino)ethyl]pyridin-2-one (CID 82897210) is 1-[2-(4-propoxyanilino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-propoxyanilino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-propoxyanilino)ethyl]pyridin-2-one is CCCOc1ccc(NCCn2ccccc2=O)cc1.
What is the InChIKey of 1-[2-(4-propoxyanilino)ethyl]pyridin-2-one?
The InChIKey is OKTOZYQKSYGYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-13-20-15-8-6-14(7-9-15)17-10-12-18-11-4-3-5-16(18)19/h3-9,11,17H,2,10,12-13H2,1H3.
What are the key properties of 1-[2-(4-propoxyanilino)ethyl]pyridin-2-one?
1-[2-(4-propoxyanilino)ethyl]pyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propoxyanilino)ethyl]pyridin-2-one is sourced from PubChem (CID 82897210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).