N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide

C23H25NO4 — CID 139794944

IUPACN-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide
SMILESCCCc1oc2cccc(O)c2c(=O)c1C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C23H25NO4/c1-4-9-17-20(22(26)19-16(25)12-8-13-18(19)28-17)23(27)24-21-14(5-2)10-7-11-15(21)6-3/h7-8,10-13,25H,4-6,9H2,1-3H3,(H,24,27)
InChIKeyYSTCNJYQZULVGM-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.83
Rot. Bonds6

About N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide

N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide (PubChem CID 139794944) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide
PubChem CID139794944
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC NameN-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide
SMILESCCCc1oc2cccc(O)c2c(=O)c1C(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C23H25NO4/c1-4-9-17-20(22(26)19-16(25)12-8-13-18(19)28-17)23(27)24-21-14(5-2)10-7-11-15(21)6-3/h7-8,10-13,25H,4-6,9H2,1-3H3,(H,24,27)
InChIKeyYSTCNJYQZULVGM-UHFFFAOYSA-N
XLogP4.83
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-6-methyl-4-oxo-2-propylpyran-3-carboxamide
CID 14127185
N-(4-chloro-2,6-diethylphenyl)-4-oxo-2-propylchromene-3-carboxamide
CID 139794938
2-butyl-8-chloro-N-(2,6-diethylphenyl)-4-oxochromene-3-carboxamide
CID 139794959
N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide
CID 23037899
N-(2,6-diethyl-4-methoxyphenyl)-5,6-dimethyl-4-oxo-2-propylpyran-3-carboxamide
CID 14300032
5-bromo-N-(2,6-diethylphenyl)-2-(ethoxymethyl)-6-methyl-4-oxopyran-3-carboxamide
CID 19836506
5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide
CID 21289349
ethane;5-hydroxy-4-propylchromen-2-one
CID 142017980
N-(2,6-diethylphenyl)-2-methyl-4-oxo-5,6,7,8-tetrahydrochromene-3-carboxamide
CID 14128683
N-(2,6-diethylphenyl)-5-hydroxy-2-methyl-4-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 7540219
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide (CID 139794944) is N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide is CCCc1oc2cccc(O)c2c(=O)c1C(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide?
The InChIKey is YSTCNJYQZULVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-4-9-17-20(22(26)19-16(25)12-8-13-18(19)28-17)23(27)24-21-14(5-2)10-7-11-15(21)6-3/h7-8,10-13,25H,4-6,9H2,1-3H3,(H,24,27).
What are the key properties of N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide?
N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-5-hydroxy-4-oxo-2-propylchromene-3-carboxamide is sourced from PubChem (CID 139794944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).