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

C16H17NO5 — CID 30860274

IUPAC5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide
SMILESCCOc1coc(C(=O)NCc2cccc(OC)c2)cc1=O
InChIInChI=1S/C16H17NO5/c1-3-21-15-10-22-14(8-13(15)18)16(19)17-9-11-5-4-6-12(7-11)20-2/h4-8,10H,3,9H2,1-2H3,(H,17,19)
InChIKeyAUPQNCSCHIHMEJ-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.98
Rot. Bonds6

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

5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide (PubChem CID 30860274) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide
PubChem CID30860274
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide
SMILESCCOc1coc(C(=O)NCc2cccc(OC)c2)cc1=O
InChIInChI=1S/C16H17NO5/c1-3-21-15-10-22-14(8-13(15)18)16(19)17-9-11-5-4-6-12(7-11)20-2/h4-8,10H,3,9H2,1-2H3,(H,17,19)
InChIKeyAUPQNCSCHIHMEJ-UHFFFAOYSA-N
XLogP1.98
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methoxyphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-oxopyran-2-carboxamide
CID 42227339
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
N-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carboxamide
CID 42317193
N-[(3-chlorophenyl)methyl]-4-oxo-5-phenylmethoxypyran-2-carboxamide
CID 45490762
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
ethyl 4-[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]piperazine-1-carboxylate
CID 42227317
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methoxybenzamide
CID 110781923
ethyl 4-[[5-[(3-methoxyphenyl)methoxy]-4-oxopyran-2-carbonyl]amino]piperidine-1-carboxylate
CID 42317305
5-[(3-methoxyphenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyran-2-carboxamide
CID 42317250
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080
5-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963569

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide (CID 30860274) is 5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide is CCOc1coc(C(=O)NCc2cccc(OC)c2)cc1=O.
What is the InChIKey of 5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide?
The InChIKey is AUPQNCSCHIHMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-3-21-15-10-22-14(8-13(15)18)16(19)17-9-11-5-4-6-12(7-11)20-2/h4-8,10H,3,9H2,1-2H3,(H,17,19).
What are the key properties of 5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide?
5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide has a molecular weight of 303.31 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[(3-methoxyphenyl)methyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 30860274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).