[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate

C18H19NO5 — CID 42925687

IUPAC[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCc1cc(=O)oc(C)c1C(=O)OC(C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C18H19NO5/c1-11-10-14(20)23-12(2)15(11)18(22)24-16(17(21)19(3)4)13-8-6-5-7-9-13/h5-10,16H,1-4H3
InChIKeyFSEMKHOSVSVVER-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.24
Rot. Bonds4

About [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate

[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate (PubChem CID 42925687) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
PubChem CID42925687
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCc1cc(=O)oc(C)c1C(=O)OC(C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C18H19NO5/c1-11-10-14(20)23-12(2)15(11)18(22)24-16(17(21)19(3)4)13-8-6-5-7-9-13/h5-10,16H,1-4H3
InChIKeyFSEMKHOSVSVVER-UHFFFAOYSA-N
XLogP2.24
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The IUPAC name of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate (CID 42925687) is [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The canonical SMILES for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate is Cc1cc(=O)oc(C)c1C(=O)OC(C(=O)N(C)C)c1ccccc1.
What is the InChIKey of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The InChIKey is FSEMKHOSVSVVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-11-10-14(20)23-12(2)15(11)18(22)24-16(17(21)19(3)4)13-8-6-5-7-9-13/h5-10,16H,1-4H3.
What are the key properties of [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate is sourced from PubChem (CID 42925687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).