N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide

C22H22N2O5 — CID 58317227

IUPACN-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(CCC3CCC3)c3c(oc2=O)CC(=O)NC3=O)cc1
InChIInChI=1S/C22H22N2O5/c1-12(25)23-15-8-6-14(7-9-15)19-16(10-5-13-3-2-4-13)20-17(29-22(19)28)11-18(26)24-21(20)27/h6-9,13H,2-5,10-11H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyTXIKZXSONNXIJL-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.81
Rot. Bonds5

About N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide

N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide (PubChem CID 58317227) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide
PubChem CID58317227
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2c(CCC3CCC3)c3c(oc2=O)CC(=O)NC3=O)cc1
InChIInChI=1S/C22H22N2O5/c1-12(25)23-15-8-6-14(7-9-15)19-16(10-5-13-3-2-4-13)20-17(29-22(19)28)11-18(26)24-21(20)27/h6-9,13H,2-5,10-11H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyTXIKZXSONNXIJL-UHFFFAOYSA-N
XLogP2.81
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide with MolForge

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Related Compounds

(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 1399519
ethyl 4-[4-(acetylamino)phenyl]-6-amino-5-cyano-2-ethyl-4H-pyran-3-carboxylate
CID 2839319
N-(4-ethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 16008358
N-[4-[(2-methylidene-5-oxofuran-3-yl)methyl]phenyl]-2-(4-methylphenyl)acetamide
CID 137662209
(2-oxo-3-phenyl-1H-quinolin-4-yl) acetate
CID 145963729
N-[4-[(2-methylidene-5-oxofuran-3-yl)methyl]phenyl]-2-phenylacetamide
CID 137651679
3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 6622239
3,8-dimethyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861360
N-(2,4-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861406
N~4~-(4-isopropylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861426
3-methyl-N-(4-methylphenyl)-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 20910693
3-Methyl-N-{4-[(4-methylpiperidin-1-YL)methyl]phenyl}-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 20910757

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide (CID 58317227) is N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2c(CCC3CCC3)c3c(oc2=O)CC(=O)NC3=O)cc1.
What is the InChIKey of N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide?
The InChIKey is TXIKZXSONNXIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-12(25)23-15-8-6-14(7-9-15)19-16(10-5-13-3-2-4-13)20-17(29-22(19)28)11-18(26)24-21(20)27/h6-9,13H,2-5,10-11H2,1H3,(H,23,25)(H,24,26,27).
What are the key properties of N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide?
N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-cyclobutylethyl)-2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-3-yl]phenyl]acetamide is sourced from PubChem (CID 58317227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).