ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate

C16H17NO5 — CID 172587772

IUPACethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate
SMILESCCOC(=O)c1cc(N(C)c2ccccc2)c(OC)c(=O)o1
InChIInChI=1S/C16H17NO5/c1-4-21-15(18)13-10-12(14(20-3)16(19)22-13)17(2)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyWJQDIOBAFSCWRC-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.59
Rot. Bonds5

About ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate

ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate (PubChem CID 172587772) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate
PubChem CID172587772
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Nameethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate
SMILESCCOC(=O)c1cc(N(C)c2ccccc2)c(OC)c(=O)o1
InChIInChI=1S/C16H17NO5/c1-4-21-15(18)13-10-12(14(20-3)16(19)22-13)17(2)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyWJQDIOBAFSCWRC-UHFFFAOYSA-N
XLogP2.59
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate?
The IUPAC name of ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate (CID 172587772) is ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate?
The canonical SMILES for ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate is CCOC(=O)c1cc(N(C)c2ccccc2)c(OC)c(=O)o1.
What is the InChIKey of ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate?
The InChIKey is WJQDIOBAFSCWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-4-21-15(18)13-10-12(14(20-3)16(19)22-13)17(2)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate?
ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate has a molecular weight of 303.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-4-(N-methylanilino)-6-oxopyran-2-carboxylate is sourced from PubChem (CID 172587772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).