2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone

C20H22N2O5 — CID 170895581

IUPAC2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone
SMILESCN(C)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)CN(C)C)o3)o2)o1
InChIInChI=1S/C20H22N2O5/c1-21(2)11-13(23)15-5-7-17(25-15)19-9-10-20(27-19)18-8-6-16(26-18)14(24)12-22(3)4/h5-10H,11-12H2,1-4H3
InChIKeyUOOMBFXGULUDPW-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.29
Rot. Bonds8

About 2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone

2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone (PubChem CID 170895581) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone
PubChem CID170895581
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone
SMILESCN(C)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)CN(C)C)o3)o2)o1
InChIInChI=1S/C20H22N2O5/c1-21(2)11-13(23)15-5-7-17(25-15)19-9-10-20(27-19)18-8-6-16(26-18)14(24)12-22(3)4/h5-10H,11-12H2,1-4H3
InChIKeyUOOMBFXGULUDPW-UHFFFAOYSA-N
XLogP3.29
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone (CID 170895581) is 2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone is CN(C)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)CN(C)C)o3)o2)o1.
What is the InChIKey of 2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone?
The InChIKey is UOOMBFXGULUDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-21(2)11-13(23)15-5-7-17(25-15)19-9-10-20(27-19)18-8-6-16(26-18)14(24)12-22(3)4/h5-10H,11-12H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone?
2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone has a molecular weight of 370.41 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[5-[5-[5-[2-(dimethylamino)acetyl]furan-2-yl]furan-2-yl]furan-2-yl]ethanone is sourced from PubChem (CID 170895581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).