N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide

C22H25NO4 — CID 170506927

IUPACN-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)c1c(C)cc(C2CCCO2)oc1=O
InChIInChI=1S/C22H25NO4/c1-3-23(13-7-11-17-9-5-4-6-10-17)21(24)20-16(2)15-19(27-22(20)25)18-12-8-14-26-18/h4-7,9-11,15,18H,3,8,12-14H2,1-2H3/b11-7+
InChIKeyDDSRZOZPGFPYAN-YRNVUSSQSA-N
MW367.44 g/mol
LogP3.98
Rot. Bonds6

About N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide

N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide (PubChem CID 170506927) has the molecular formula C22H25NO4 and a molecular weight of 367.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide
PubChem CID170506927
Molecular FormulaC22H25NO4
Molecular Weight367.44 g/mol
Exact Mass367.18
IUPAC NameN-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)c1c(C)cc(C2CCCO2)oc1=O
InChIInChI=1S/C22H25NO4/c1-3-23(13-7-11-17-9-5-4-6-10-17)21(24)20-16(2)15-19(27-22(20)25)18-12-8-14-26-18/h4-7,9-11,15,18H,3,8,12-14H2,1-2H3/b11-7+
InChIKeyDDSRZOZPGFPYAN-YRNVUSSQSA-N
XLogP3.98
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide?
The IUPAC name of N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide (CID 170506927) is N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide is CCN(C/C=C/c1ccccc1)C(=O)c1c(C)cc(C2CCCO2)oc1=O.
What is the InChIKey of N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide?
The InChIKey is DDSRZOZPGFPYAN-YRNVUSSQSA-N. The full InChI is InChI=1S/C22H25NO4/c1-3-23(13-7-11-17-9-5-4-6-10-17)21(24)20-16(2)15-19(27-22(20)25)18-12-8-14-26-18/h4-7,9-11,15,18H,3,8,12-14H2,1-2H3/b11-7+.
What are the key properties of N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide?
N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide has a molecular weight of 367.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide is sourced from PubChem (CID 170506927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).