1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one

C16H20N2O2 — CID 82897744

IUPAC1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
SMILESCOc1ccc(CCNCCn2ccccc2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-20-15-7-5-14(6-8-15)9-10-17-11-13-18-12-3-2-4-16(18)19/h2-8,12,17H,9-11,13H2,1H3
InChIKeyCSBSWELVKWKUBS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.69
Rot. Bonds7

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

1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one (PubChem CID 82897744) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
PubChem CID82897744
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
SMILESCOc1ccc(CCNCCn2ccccc2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-20-15-7-5-14(6-8-15)9-10-17-11-13-18-12-3-2-4-16(18)19/h2-8,12,17H,9-11,13H2,1H3
InChIKeyCSBSWELVKWKUBS-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(benzylamino)ethyl]pyridin-2-one
CID 55070999
1-[2-(3-bromopropylamino)ethyl]pyridin-2-one
CID 82907735
1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one
CID 62564162
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
N-[2-(3-methoxyphenyl)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78879278
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one
CID 114760943
4-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 82897026
1-[2-(2-amino-5-methoxyphenyl)sulfanylethyl]pyridin-2-one
CID 82897703
1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one
CID 105416898

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one (CID 82897744) is 1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one is COc1ccc(CCNCCn2ccccc2=O)cc1.
What is the InChIKey of 1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one?
The InChIKey is CSBSWELVKWKUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-15-7-5-14(6-8-15)9-10-17-11-13-18-12-3-2-4-16(18)19/h2-8,12,17H,9-11,13H2,1H3.
What are the key properties of 1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one?
1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 82897744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).