ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane

C20H33NO4 — CID 142101154

IUPACethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane
SMILESCC.CCC.CCOC(=O)CC1CCc2cc(NC(C)=O)ccc2O1
InChIInChI=1S/C15H19NO4.C3H8.C2H6/c1-3-19-15(18)9-13-6-4-11-8-12(16-10(2)17)5-7-14(11)20-13;1-3-2;1-2/h5,7-8,13H,3-4,6,9H2,1-2H3,(H,16,17);3H2,1-2H3;1-2H3
InChIKeyPGSKNURDRLWGPO-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.73
Rot. Bonds4

About ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane

ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane (PubChem CID 142101154) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane.

Molecular Properties

Compound Nameethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane
PubChem CID142101154
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Nameethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane
SMILESCC.CCC.CCOC(=O)CC1CCc2cc(NC(C)=O)ccc2O1
InChIInChI=1S/C15H19NO4.C3H8.C2H6/c1-3-19-15(18)9-13-6-4-11-8-12(16-10(2)17)5-7-14(11)20-13;1-3-2;1-2/h5,7-8,13H,3-4,6,9H2,1-2H3,(H,16,17);3H2,1-2H3;1-2H3
InChIKeyPGSKNURDRLWGPO-UHFFFAOYSA-N
XLogP4.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane?
The IUPAC name of ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane (CID 142101154) is ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane.
What is the SMILES notation for ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane?
The canonical SMILES for ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane is CC.CCC.CCOC(=O)CC1CCc2cc(NC(C)=O)ccc2O1.
What is the InChIKey of ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane?
The InChIKey is PGSKNURDRLWGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4.C3H8.C2H6/c1-3-19-15(18)9-13-6-4-11-8-12(16-10(2)17)5-7-14(11)20-13;1-3-2;1-2/h5,7-8,13H,3-4,6,9H2,1-2H3,(H,16,17);3H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane?
ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane has a molecular weight of 351.49 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(6-acetamido-3,4-dihydro-2H-chromen-2-yl)acetate;propane is sourced from PubChem (CID 142101154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).