2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide

C17H22N2O6 — CID 167039405

IUPAC2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N(C=O)OCc1cccc(OCC=O)c1C
InChIInChI=1S/C17H22N2O6/c1-13-14(5-3-7-16(13)24-10-9-21)11-25-19(12-22)15(6-4-8-20)17(23)18-2/h3,5,7-9,12,15H,4,6,10-11H2,1-2H3,(H,18,23)
InChIKeyQHFUFOYXKAVJGU-UHFFFAOYSA-N
MW350.37 g/mol
LogP0.56
Rot. Bonds12

About 2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide

2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide (PubChem CID 167039405) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide
PubChem CID167039405
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC Name2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N(C=O)OCc1cccc(OCC=O)c1C
InChIInChI=1S/C17H22N2O6/c1-13-14(5-3-7-16(13)24-10-9-21)11-25-19(12-22)15(6-4-8-20)17(23)18-2/h3,5,7-9,12,15H,4,6,10-11H2,1-2H3,(H,18,23)
InChIKeyQHFUFOYXKAVJGU-UHFFFAOYSA-N
XLogP0.56
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,6-dimethylphenyl)methyl-formylamino]-N-methyl-5-oxopentanamide;ethane
CID 153393704
3-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 145229617
2-(3-hydroxy-2-methylphenoxy)acetaldehyde
CID 86739690
3-acetamido-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide;ethane
CID 171627638
2-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
CID 142365578
5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 170737850
N-formyl-4-hydroxy-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 142327258
N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-[2-(2-propoxyethoxy)ethylamino]benzamide
CID 174321847
tert-butyl 2-[3-[2,6-dioxohexan-3-yl(formyl)carbamoyl]-2-methylphenoxy]acetate;ethane
CID 178004565
[2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate
CID 151537685
N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-6-(12-oxododecylamino)benzamide;methanol
CID 155749242
2-[(2-formyl-6-propan-2-ylphenyl)methyl-methylamino]-N-methyl-5-oxopentanamide
CID 177202054

Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide?
The IUPAC name of 2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide (CID 167039405) is 2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide is CNC(=O)C(CCC=O)N(C=O)OCc1cccc(OCC=O)c1C.
What is the InChIKey of 2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide?
The InChIKey is QHFUFOYXKAVJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-13-14(5-3-7-16(13)24-10-9-21)11-25-19(12-22)15(6-4-8-20)17(23)18-2/h3,5,7-9,12,15H,4,6,10-11H2,1-2H3,(H,18,23).
What are the key properties of 2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide?
2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide has a molecular weight of 350.37 g/mol, XLogP of 0.56, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[[2-methyl-3-(2-oxoethoxy)phenyl]methoxy]amino]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 167039405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).