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

C17H25N3O5 — CID 3050347

IUPAC1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea
SMILESCNC(=O)Nc1c(OCCNC(C)C)c(OC)c2occc2c1OC
InChIInChI=1S/C17H25N3O5/c1-10(2)19-7-9-25-15-12(20-17(21)18-3)13(22-4)11-6-8-24-14(11)16(15)23-5/h6,8,10,19H,7,9H2,1-5H3,(H2,18,20,21)
InChIKeyJXQXTXXOXJWURE-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.58
Rot. Bonds8

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

1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea (PubChem CID 3050347) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea.

Molecular Properties

Compound Name1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea
PubChem CID3050347
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea
SMILESCNC(=O)Nc1c(OCCNC(C)C)c(OC)c2occc2c1OC
InChIInChI=1S/C17H25N3O5/c1-10(2)19-7-9-25-15-12(20-17(21)18-3)13(22-4)11-6-8-24-14(11)16(15)23-5/h6,8,10,19H,7,9H2,1-5H3,(H2,18,20,21)
InChIKeyJXQXTXXOXJWURE-UHFFFAOYSA-N
XLogP2.58
TPSA93.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
Urea, 1-(4,7-dimethoxy-6-(2-(diethylamino)ethoxy)-5-benzofuranyl)-3-methyl-
CID 3050335
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-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea?
The IUPAC name of 1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea (CID 3050347) is 1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea.
What is the SMILES notation for 1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea?
The canonical SMILES for 1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea is CNC(=O)Nc1c(OCCNC(C)C)c(OC)c2occc2c1OC.
What is the InChIKey of 1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea?
The InChIKey is JXQXTXXOXJWURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-10(2)19-7-9-25-15-12(20-17(21)18-3)13(22-4)11-6-8-24-14(11)16(15)23-5/h6,8,10,19H,7,9H2,1-5H3,(H2,18,20,21).
What are the key properties of 1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea?
1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea has a molecular weight of 351.40 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,7-dimethoxy-6-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-5-yl]-3-methylurea is sourced from PubChem (CID 3050347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).