5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide

C22H21NO5 — CID 42227339

IUPAC5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide
SMILESCOc1cccc(COc2coc(C(=O)NCc3ccc(C)cc3)cc2=O)c1
InChIInChI=1S/C22H21NO5/c1-15-6-8-16(9-7-15)12-23-22(25)20-11-19(24)21(14-28-20)27-13-17-4-3-5-18(10-17)26-2/h3-11,14H,12-13H2,1-2H3,(H,23,25)
InChIKeyLZULOLQSLGNNAV-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.47
Rot. Bonds7

About 5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide

5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide (PubChem CID 42227339) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide
PubChem CID42227339
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide
SMILESCOc1cccc(COc2coc(C(=O)NCc3ccc(C)cc3)cc2=O)c1
InChIInChI=1S/C22H21NO5/c1-15-6-8-16(9-7-15)12-23-22(25)20-11-19(24)21(14-28-20)27-13-17-4-3-5-18(10-17)26-2/h3-11,14H,12-13H2,1-2H3,(H,23,25)
InChIKeyLZULOLQSLGNNAV-UHFFFAOYSA-N
XLogP3.47
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide
CID 30860274
N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42317193
5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42317250
ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate
CID 42317305
ethyl 4-[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]piperazine-1-carboxylate
CID 42227317
N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45490762
2-[(3-methoxyphenoxy)methyl]-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 26403419
methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate
CID 112828222
N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899333
4-hydroxy-N-[(3-methoxyphenyl)methyl]-6-methyl-2-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 57245363
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide (CID 42227339) is 5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide is COc1cccc(COc2coc(C(=O)NCc3ccc(C)cc3)cc2=O)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide?
The InChIKey is LZULOLQSLGNNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-15-6-8-16(9-7-15)12-23-22(25)20-11-19(24)21(14-28-20)27-13-17-4-3-5-18(10-17)26-2/h3-11,14H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide?
5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 42227339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).