1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea

C21H24N2O4 — CID 47493616

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea
SMILESCOCCOc1ccccc1NC(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C21H24N2O4/c1-15(20-14-16-8-4-6-10-18(16)27-20)23(2)21(24)22-17-9-5-7-11-19(17)26-13-12-25-3/h4-11,14-15H,12-13H2,1-3H3,(H,22,24)
InChIKeySUVQVVXWWAWMFM-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.68
Rot. Bonds7

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea

1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea (PubChem CID 47493616) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea
PubChem CID47493616
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea
SMILESCOCCOc1ccccc1NC(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C21H24N2O4/c1-15(20-14-16-8-4-6-10-18(16)27-20)23(2)21(24)22-17-9-5-7-11-19(17)26-13-12-25-3/h4-11,14-15H,12-13H2,1-3H3,(H,22,24)
InChIKeySUVQVVXWWAWMFM-UHFFFAOYSA-N
XLogP4.68
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-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

1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 55930468
3-[2-(2-methoxyethoxy)phenyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
CID 47493398
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
3-(4-acetylphenyl)-1-[1-(1-benzofuran-2-yl)ethyl]-1-methylurea
CID 134040575
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-(4-nitrophenyl)urea
CID 134040562
1-[1-(1-benzofuran-2-yl)ethyl]-1-methyl-3-[(4-methylbenzoyl)amino]urea
CID 42951445
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87016044
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 87015123
1-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-1-methylurea
CID 87002732
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea (CID 47493616) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea is COCCOc1ccccc1NC(=O)N(C)C(C)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea?
The InChIKey is SUVQVVXWWAWMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-15(20-14-16-8-4-6-10-18(16)27-20)23(2)21(24)22-17-9-5-7-11-19(17)26-13-12-25-3/h4-11,14-15H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea has a molecular weight of 368.43 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea is sourced from PubChem (CID 47493616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).