diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate

C19H23NO6 — CID 23826620

IUPACdiethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1ccccc1OC
InChIInChI=1S/C19H23NO6/c1-5-24-18(21)14-11(3)26-17(20)16(19(22)25-6-2)15(14)12-9-7-8-10-13(12)23-4/h7-10,15H,5-6,20H2,1-4H3
InChIKeyJRVXWWXFMWEIDD-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.38
Rot. Bonds6

About diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate

diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate (PubChem CID 23826620) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
PubChem CID23826620
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Namediethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1ccccc1OC
InChIInChI=1S/C19H23NO6/c1-5-24-18(21)14-11(3)26-17(20)16(19(22)25-6-2)15(14)12-9-7-8-10-13(12)23-4/h7-10,15H,5-6,20H2,1-4H3
InChIKeyJRVXWWXFMWEIDD-UHFFFAOYSA-N
XLogP2.38
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (4R)-5-acetyl-2-amino-4-(5-bromo-2-methoxyphenyl)-6-methyl-4H-pyran-3-carboxylate
CID 8613834
ethyl (4R)-6-amino-5-cyano-4-(2-methoxyphenyl)-2-propyl-4H-pyran-3-carboxylate
CID 698823
ethyl (4R)-2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
CID 2297819
ethyl (4S)-5-acetyl-2-amino-4-(2-bromophenyl)-6-methyl-4H-pyran-3-carboxylate
CID 8613813
ethyl 4-chloro-2-(dimethylamino)-5-(2-methoxyphenyl)-7-methyl-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
CID 15192306
ethyl 5-acetyl-2-amino-6-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
CID 3128779
ethyl 6-amino-5-cyano-4-[2-(dimethylcarbamoyloxy)phenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169391948
ethyl (4S)-5-acetyl-2-amino-4-(2,3-dichlorophenyl)-6-methyl-4H-pyran-3-carboxylate
CID 8613819
ethyl 6-amino-5-cyano-4-[2-(cyclopropylmethoxy)phenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169390658
methyl 6-amino-5-cyano-4-(2-ethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 2892957
ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
CID 40554150
ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 777256

Frequently Asked Questions

What is the IUPAC name of diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate?
The IUPAC name of diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate (CID 23826620) is diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate is CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1ccccc1OC.
What is the InChIKey of diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate?
The InChIKey is JRVXWWXFMWEIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-5-24-18(21)14-11(3)26-17(20)16(19(22)25-6-2)15(14)12-9-7-8-10-13(12)23-4/h7-10,15H,5-6,20H2,1-4H3.
What are the key properties of diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate?
diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate has a molecular weight of 361.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate is sourced from PubChem (CID 23826620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).