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

C18H27N3O5 — CID 3050335

IUPAC1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
SMILESCCN(CC)CCOc1c(NC(=O)NC)c(OC)c2ccoc2c1OC
InChIInChI=1S/C18H27N3O5/c1-6-21(7-2)9-11-26-16-13(20-18(22)19-3)14(23-4)12-8-10-25-15(12)17(16)24-5/h8,10H,6-7,9,11H2,1-5H3,(H2,19,20,22)
InChIKeyLCNHRXWPYBRJOK-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.92
Rot. Bonds9

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

1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea (PubChem CID 3050335) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea.

Molecular Properties

Compound Name1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
PubChem CID3050335
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
SMILESCCN(CC)CCOc1c(NC(=O)NC)c(OC)c2ccoc2c1OC
InChIInChI=1S/C18H27N3O5/c1-6-21(7-2)9-11-26-16-13(20-18(22)19-3)14(23-4)12-8-10-25-15(12)17(16)24-5/h8,10H,6-7,9,11H2,1-5H3,(H2,19,20,22)
InChIKeyLCNHRXWPYBRJOK-UHFFFAOYSA-N
XLogP2.92
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,7-Dimethoxy-6-(2-(1-pyrrolidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea
CID 71970
N-(4,7-Dimethoxy-6-(2-(1-piperidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea
CID 71747
Urea, 1-(4,7-dimethoxy-6-(2-(isopropylamino)ethoxy)-5-benzofuranyl)-3-methyl-
CID 3050347
N-(4,7-Dimethoxy-6-(1-methyl-2-(1-piperidinyl)ethoxy)-5-benzofuranyl)-N'-methylurea
CID 3050348
5-Benzofurancarbamic acid, 4,7-dimethoxy-6-(2-piperidinoethoxy)-, isopropyl ester
CID 53413
Urea, 1-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-3-ethyl-
CID 3050333
Urea, 1-(4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-5-benzofuranyl)-3-methyl-
CID 3050334
N-(6-(2-(Hexahydro-1H-azepin-1-yl)ethoxy)-4,7-dimethoxy-5-benzofuranyl)-N'-methylurea
CID 3050336
Urea, 1-(4,7-dimethoxy-6-(2-(octahydro-azocin-1-yl)ethoxy)-5-benzofuranyl)-3-methyl-
CID 3050337
Urea, 1-(4,7-dimethoxy-6-(3-piperidinopropoxy)-5-benzofuranyl)-3-methyl-
CID 3050338
Urea, 1-(4,7-dimethoxy-6-(2-(4-methyl-1-piperazinyl)ethoxy)-5-benzofuranyl)-3-methyl-, hydrate
CID 3050339
Urea, 1-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-3,3-dimethyl-
CID 3050340

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea?
The IUPAC name of 1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea (CID 3050335) is 1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea.
What is the SMILES notation for 1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea?
The canonical SMILES for 1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea is CCN(CC)CCOc1c(NC(=O)NC)c(OC)c2ccoc2c1OC.
What is the InChIKey of 1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea?
The InChIKey is LCNHRXWPYBRJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-6-21(7-2)9-11-26-16-13(20-18(22)19-3)14(23-4)12-8-10-25-15(12)17(16)24-5/h8,10H,6-7,9,11H2,1-5H3,(H2,19,20,22).
What are the key properties of 1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea?
1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea has a molecular weight of 365.43 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(diethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea is sourced from PubChem (CID 3050335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).