ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate

C23H24N2O4 — CID 8613952

IUPACethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(N)OC(C)=C(C(=O)Nc2ccccc2)[C@H]1c1cccc(C)c1
InChIInChI=1S/C23H24N2O4/c1-4-28-23(27)20-19(16-10-8-9-14(2)13-16)18(15(3)29-21(20)24)22(26)25-17-11-6-5-7-12-17/h5-13,19H,4,24H2,1-3H3,(H,25,26)/t19-/m1/s1
InChIKeyNVMODABRMZDMLY-LJQANCHMSA-N
MW392.46 g/mol
LogP3.75
Rot. Bonds5

About ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate

ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate (PubChem CID 8613952) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate
PubChem CID8613952
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Nameethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(N)OC(C)=C(C(=O)Nc2ccccc2)[C@H]1c1cccc(C)c1
InChIInChI=1S/C23H24N2O4/c1-4-28-23(27)20-19(16-10-8-9-14(2)13-16)18(15(3)29-21(20)24)22(26)25-17-11-6-5-7-12-17/h5-13,19H,4,24H2,1-3H3,(H,25,26)/t19-/m1/s1
InChIKeyNVMODABRMZDMLY-LJQANCHMSA-N
XLogP3.75
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (4S)-2-amino-4-(3-chlorophenyl)-6-methyl-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate
CID 8613933
ethyl 2-amino-4-(3-methylphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 4899383
diethyl 4-(3-chlorophenyl)-2,6-dimethyl-4H-pyran-3,5-dicarboxylate
CID 71739309
3-O-ethyl 5-O-methyl (4R)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
CID 679375
3-O-ethyl 5-O-methyl (4S)-2-amino-6-methyl-4-pyridin-3-yl-4H-pyran-3,5-dicarboxylate
CID 679376
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate;hydrate
CID 51056751
diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 23826620
diethyl (4R)-2-amino-4-(1,3-benzodioxol-5-yl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 8613895
diethyl (4R)-2-amino-4-(4-ethoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 8613900
ethyl (4R)-2-amino-4-phenyl-4H-chromene-3-carboxylate
CID 40554150
diethyl (4S)-2-amino-4-[4-(dimethylamino)phenyl]-6-methyl-4H-pyran-3,5-dicarboxylate
CID 7961146
ethyl 6-amino-5-cyano-4-(3-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 5132156

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate?
The IUPAC name of ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate (CID 8613952) is ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate.
What is the SMILES notation for ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate?
The canonical SMILES for ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate is CCOC(=O)C1=C(N)OC(C)=C(C(=O)Nc2ccccc2)[C@H]1c1cccc(C)c1.
What is the InChIKey of ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate?
The InChIKey is NVMODABRMZDMLY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-4-28-23(27)20-19(16-10-8-9-14(2)13-16)18(15(3)29-21(20)24)22(26)25-17-11-6-5-7-12-17/h5-13,19H,4,24H2,1-3H3,(H,25,26)/t19-/m1/s1.
What are the key properties of ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate?
ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-amino-6-methyl-4-(3-methylphenyl)-5-(phenylcarbamoyl)-4H-pyran-3-carboxylate is sourced from PubChem (CID 8613952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).