1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea

C16H23N3O5 — CID 3050334

IUPAC1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
SMILESCNC(=O)Nc1c(OCCN(C)C)c(OC)c2occc2c1OC
InChIInChI=1S/C16H23N3O5/c1-17-16(20)18-11-12(21-4)10-6-8-23-13(10)15(22-5)14(11)24-9-7-19(2)3/h6,8H,7,9H2,1-5H3,(H2,17,18,20)
InChIKeyMTPXQJYDYWYMNG-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.14
Rot. Bonds7

About 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea

1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea (PubChem CID 3050334) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea.

Molecular Properties

Compound Name1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
PubChem CID3050334
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
SMILESCNC(=O)Nc1c(OCCN(C)C)c(OC)c2occc2c1OC
InChIInChI=1S/C16H23N3O5/c1-17-16(20)18-11-12(21-4)10-6-8-23-13(10)15(22-5)14(11)24-9-7-19(2)3/h6,8H,7,9H2,1-5H3,(H2,17,18,20)
InChIKeyMTPXQJYDYWYMNG-UHFFFAOYSA-N
XLogP2.14
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea?
The IUPAC name of 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea (CID 3050334) is 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea.
What is the SMILES notation for 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea?
The canonical SMILES for 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea is CNC(=O)Nc1c(OCCN(C)C)c(OC)c2occc2c1OC.
What is the InChIKey of 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea?
The InChIKey is MTPXQJYDYWYMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-17-16(20)18-11-12(21-4)10-6-8-23-13(10)15(22-5)14(11)24-9-7-19(2)3/h6,8H,7,9H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea?
1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea has a molecular weight of 337.38 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea is sourced from PubChem (CID 3050334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).