N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide

C20H18N2O4 — CID 56757543

IUPACN-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide
SMILESCc1cccc(C)c1Oc1ncccc1CNC(=O)C(=O)c1ccco1
InChIInChI=1S/C20H18N2O4/c1-13-6-3-7-14(2)18(13)26-20-15(8-4-10-21-20)12-22-19(24)17(23)16-9-5-11-25-16/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyFZGBGZBGPKSQLU-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.58
Rot. Bonds6

About N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide

N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide (PubChem CID 56757543) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide
PubChem CID56757543
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide
SMILESCc1cccc(C)c1Oc1ncccc1CNC(=O)C(=O)c1ccco1
InChIInChI=1S/C20H18N2O4/c1-13-6-3-7-14(2)18(13)26-20-15(8-4-10-21-20)12-22-19(24)17(23)16-9-5-11-25-16/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyFZGBGZBGPKSQLU-UHFFFAOYSA-N
XLogP3.58
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 25288420
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide
CID 45171969
2-(2,6-dimethylphenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486076
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56741787
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 56751942
4-chloro-N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide
CID 56760516
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 25289025
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111168859
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-yl)propanamide
CID 37487260
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 56740696
3-[2-[[2-(2-methylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]oxadiazol-3-ium-5-olate
CID 45243417
N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51121600

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide?
The IUPAC name of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide (CID 56757543) is N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide?
The canonical SMILES for N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide is Cc1cccc(C)c1Oc1ncccc1CNC(=O)C(=O)c1ccco1.
What is the InChIKey of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide?
The InChIKey is FZGBGZBGPKSQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-6-3-7-14(2)18(13)26-20-15(8-4-10-21-20)12-22-19(24)17(23)16-9-5-11-25-16/h3-11H,12H2,1-2H3,(H,22,24).
What are the key properties of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide?
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide has a molecular weight of 350.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide is sourced from PubChem (CID 56757543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).