2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide

C18H22N2O3 — CID 71968867

IUPAC2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide
SMILESCc1cccc(OCCCNC(=O)Cn2ccc(C)cc2=O)c1
InChIInChI=1S/C18H22N2O3/c1-14-5-3-6-16(11-14)23-10-4-8-19-17(21)13-20-9-7-15(2)12-18(20)22/h3,5-7,9,11-12H,4,8,10,13H2,1-2H3,(H,19,21)
InChIKeyWLBUPFYPDDAFHD-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.05
Rot. Bonds7

About 2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide

2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide (PubChem CID 71968867) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide
PubChem CID71968867
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide
SMILESCc1cccc(OCCCNC(=O)Cn2ccc(C)cc2=O)c1
InChIInChI=1S/C18H22N2O3/c1-14-5-3-6-16(11-14)23-10-4-8-19-17(21)13-20-9-7-15(2)12-18(20)22/h3,5-7,9,11-12H,4,8,10,13H2,1-2H3,(H,19,21)
InChIKeyWLBUPFYPDDAFHD-UHFFFAOYSA-N
XLogP2.05
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.05
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

2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 47014235
N-[3-(3-methylphenoxy)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31339031
2-(2,6-dimethylmorpholin-4-yl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 87012344
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
CID 78899164
N-[3-(3-methylphenoxy)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24533415
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063832
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-(5,6-difluorobenzimidazol-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31807275
1-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908573
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide (CID 71968867) is 2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide is Cc1cccc(OCCCNC(=O)Cn2ccc(C)cc2=O)c1.
What is the InChIKey of 2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide?
The InChIKey is WLBUPFYPDDAFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-5-3-6-16(11-14)23-10-4-8-19-17(21)13-20-9-7-15(2)12-18(20)22/h3,5-7,9,11-12H,4,8,10,13H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide?
2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 71968867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).